data_2k7v_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 2k7v _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 ' 43' ' ' SER . . . . . 0.53 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 84.4 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.624 0.249 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.3 ttp -152.46 120.43 6.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.88 0.372 . . . . 0.0 111.174 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.526 ' HB3' HD22 ' B' ' 70' ' ' LEU . 26.3 mt-10 -68.81 152.01 45.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.834 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.54 143.45 48.38 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.185 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.483 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 65.7 Cg_endo -101.93 165.32 0.32 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.22 2.613 . . . . 0.0 112.491 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.03 143.46 61.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.071 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.74 -43.1 2.87 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.518 2.145 . . . . 0.0 112.566 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -149.37 158.41 44.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.0 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.86 140.25 57.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.409 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.02 -165.97 23.21 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.059 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 61.8 t -134.28 131.45 55.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.727 0.299 . . . . 0.0 110.465 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' B' ' 61' ' ' VAL . 90.6 t -71.49 100.64 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.812 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -93.13 -40.51 10.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -149.71 127.02 11.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.899 0.38 . . . . 0.0 111.319 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.4 tp -83.34 150.17 26.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.58 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -113.96 -37.05 4.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.468 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.7 m -118.4 139.95 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.898 0.38 . . . . 0.0 111.306 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.548 ' N ' HD21 ' A' ' 60' ' ' ASN . 0.9 OUTLIER -100.88 151.51 21.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.025 -179.829 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.457 ' HA ' HG13 ' B' ' 54' ' ' VAL . 60.8 t -52.34 135.12 13.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.057 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.54 -11.42 61.33 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.351 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -95.99 106.61 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.734 0.302 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' B' ' 53' ' ' VAL . 19.2 ptpt -51.92 151.71 3.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 p -109.17 163.03 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.938 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -138.28 147.82 44.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.874 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.3 m -66.74 122.92 18.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.092 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.41 -15.53 22.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.615 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.0 p -96.1 175.66 6.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.51 HD22 ' HB3' ' B' ' 45' ' ' GLU . 5.0 mp -100.63 168.76 9.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.645 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.47 HG13 ' H ' ' A' ' 72' ' ' MET . 12.8 pt -133.3 -50.35 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.673 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.47 ' H ' HG13 ' A' ' 71' ' ' ILE . 72.9 mtm -148.35 168.68 21.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.834 0.35 . . . . 0.0 111.041 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.1 mt -135.49 129.31 49.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -109.27 161.07 15.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.368 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.512 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 1.0 OUTLIER -133.56 92.58 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.008 179.243 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.231 -179.689 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 79.2 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.722 0.296 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 57.4 ttp -143.11 124.99 15.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.51 ' HB3' HD22 ' A' ' 70' ' ' LEU . 32.3 mt-10 -71.89 152.34 42.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.642 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 34.8 m -128.67 142.54 45.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.378 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.488 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 93.6 Cg_endo -101.35 168.18 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.253 2.635 . . . . 0.0 112.416 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.32 142.96 51.24 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.41 -43.9 2.65 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.324 2.016 . . . . 0.0 112.382 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -148.74 161.23 42.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.35 137.72 44.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -164.66 -161.21 13.22 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 57.0 t -134.38 133.76 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.729 0.299 . . . . 0.0 111.043 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.457 HG13 ' HA ' ' A' ' 61' ' ' VAL . 95.7 t -72.01 101.24 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.819 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -94.23 -39.0 10.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.389 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -151.61 126.53 9.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 111.3 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 57.4 tp -82.61 151.31 26.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.526 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' B' ' 70' ' ' LEU . 64.2 tttp -115.22 -36.68 4.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.435 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.4 m -118.64 139.5 45.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.859 0.361 . . . . 0.0 111.266 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.524 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.9 OUTLIER -100.45 151.48 21.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.015 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.491 ' HA ' HG13 ' A' ' 54' ' ' VAL . 62.1 t -52.82 136.34 13.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.016 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.2 -13.99 61.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.205 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.98 110.45 22.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.311 . . . . 0.0 110.673 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 19.1 ptpt -55.55 152.78 8.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.269 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -108.31 166.07 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.799 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -142.87 147.99 36.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.954 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.3 m -67.03 122.96 18.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.89 -18.21 19.49 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.468 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 91.6 p -93.89 174.92 6.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.99 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 45' ' ' GLU . 4.9 mp -100.66 168.85 9.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.553 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.481 HG13 ' H ' ' B' ' 72' ' ' MET . 13.7 pt -133.37 -50.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.644 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.481 ' H ' HG13 ' B' ' 71' ' ' ILE . 73.4 mtm -148.52 168.31 23.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.931 0.396 . . . . 0.0 111.154 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 27.2 mt -134.3 135.03 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.34 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 43' ' ' SER . 56.9 m-85 -116.63 158.16 24.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.796 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 1.1 tm-20 -129.51 94.8 3.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.244 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.402 -179.627 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.3 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.647 0.261 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.4 tpp -125.5 119.81 29.2 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.825 0.345 . . . . 0.0 111.345 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.545 ' HG2' HG12 ' B' ' 73' ' ' ILE . 30.5 mt-10 -78.12 146.62 35.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.592 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.19 142.25 44.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -101.83 151.64 0.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.156 2.571 . . . . 0.0 112.493 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.54 145.97 94.34 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.43 -44.34 0.8 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.507 2.138 . . . . 0.0 112.616 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -148.7 161.03 42.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.184 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 149.7 44.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.74 173.39 46.22 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.819 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.3 t -115.98 127.24 73.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.677 0.275 . . . . 0.0 110.301 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.422 HG13 ' HA ' ' B' ' 61' ' ' VAL . 98.7 t -71.62 106.41 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.986 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -104.12 -32.67 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.702 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -157.29 124.02 5.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.528 ' HB2' HG23 ' B' ' 61' ' ' VAL . 33.1 tp -82.77 149.73 27.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.583 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -98.12 -47.18 5.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.198 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.56 139.74 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.944 0.402 . . . . 0.0 111.446 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -106.36 151.73 24.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.732 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.535 HG23 ' HB2' ' B' ' 57' ' ' LEU . 33.2 t -45.93 127.37 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.16 13.89 21.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -123.69 105.95 10.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.253 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -50.32 142.43 10.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.946 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 p -109.95 152.32 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.289 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -137.88 141.35 40.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.494 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 m -52.96 120.88 6.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.264 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.26 -13.37 21.36 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.731 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.2 p -93.81 164.6 13.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.77 0.319 . . . . 0.0 110.795 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.2 mt -86.76 165.0 16.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 72' ' ' MET . 24.6 pt -132.3 -44.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.545 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.456 ' N ' HG13 ' A' ' 71' ' ' ILE . 8.8 ptm -167.44 160.74 13.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.653 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.565 HG12 ' HG2' ' B' ' 45' ' ' GLU . 3.9 mp -131.28 135.65 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.411 ' CZ ' HG12 ' B' ' 65' ' ' VAL . 29.9 m-85 -111.39 160.94 16.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.994 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -94.99 93.13 7.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 -179.191 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.703 0.287 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 54.4 tpp -118.33 123.13 44.57 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.565 ' HG2' HG12 ' A' ' 73' ' ' ILE . 33.3 mt-10 -80.7 147.68 30.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.579 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 24.6 m -130.53 141.67 42.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.368 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 66.1 Cg_endo -101.59 153.14 0.35 Allowed 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.281 2.654 . . . . 0.0 112.5 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.55 146.34 96.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.23 -43.21 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.43 2.087 . . . . 0.0 112.532 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -149.64 165.17 33.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.33 151.17 42.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.326 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.35 -179.07 48.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.26 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 41.6 t -116.97 133.65 63.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.938 0.399 . . . . 0.0 111.37 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.425 HG13 ' HA ' ' A' ' 61' ' ' VAL . 78.2 t -74.87 106.68 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -104.44 -33.8 8.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -156.26 125.87 6.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.073 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.535 ' HB2' HG23 ' A' ' 61' ' ' VAL . 31.7 tp -84.41 149.45 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.571 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -97.93 -47.27 5.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.284 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.54 139.76 44.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.907 0.384 . . . . 0.0 111.525 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -106.77 151.86 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.714 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.528 HG23 ' HB2' ' A' ' 57' ' ' LEU . 38.8 t -46.51 126.33 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.33 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.05 11.94 23.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.302 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -122.03 110.73 16.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -55.29 143.05 29.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.411 HG12 ' CZ ' ' A' ' 74' ' ' PHE . 8.5 p -109.05 153.81 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.306 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -140.29 143.01 35.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.54 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 8.6 m -54.45 119.99 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.405 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.24 -12.27 21.78 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.656 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 90.7 p -94.91 163.36 13.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.731 0.3 . . . . 0.0 110.821 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 70.8 mt -86.4 164.89 16.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.44 HG13 ' N ' ' B' ' 72' ' ' MET . 23.9 pt -132.12 -43.52 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.318 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.44 ' N ' HG13 ' B' ' 71' ' ' ILE . 8.9 ptm -168.59 161.98 11.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.787 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.545 HG12 ' HG2' ' A' ' 45' ' ' GLU . 3.7 mp -131.33 139.35 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.73 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -115.23 157.26 23.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.637 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -92.26 91.76 7.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.076 -179.766 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.69 0.281 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.4 tpt -135.96 118.62 16.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.062 0.458 . . . . 0.0 110.923 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.491 ' HG2' HD13 ' B' ' 73' ' ' ILE . 31.6 mt-10 -80.51 149.47 30.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.895 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 34.4 m -132.28 136.57 28.3 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.004 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 69.1 Cg_endo -101.81 148.23 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.143 2.562 . . . . 0.0 112.527 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.83 139.74 86.52 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.95 -41.27 5.53 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.416 2.077 . . . . 0.0 112.556 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -150.39 154.34 37.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.108 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.401 ' HA ' HG13 ' B' ' 65' ' ' VAL . . . -65.98 157.24 31.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.391 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.535 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . 170.24 168.17 31.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 119.998 -1.096 . . . . 0.0 113.381 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.0 t -97.72 139.01 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.732 0.301 . . . . 0.0 110.981 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -71.81 114.56 10.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.897 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -82.76 -52.04 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.527 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -166.52 142.78 4.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.8 tp -74.2 146.56 43.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.128 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -116.0 -34.5 4.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.8 m -118.7 139.87 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.942 0.401 . . . . 0.0 111.509 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.53 HD21 ' N ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -91.53 150.8 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.781 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.6 t -60.84 128.84 22.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.28 1.18 47.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -106.41 117.43 34.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.816 0.341 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -51.46 167.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.438 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 p -127.44 160.47 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.925 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -142.25 149.96 40.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p -58.26 121.26 10.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.6 -9.68 30.33 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.653 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.5 t -97.91 132.68 43.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 111.037 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.1 mt -72.17 163.85 27.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.564 HG13 ' H ' ' A' ' 72' ' ' MET . 10.4 pt -126.2 -55.99 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.448 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.564 ' H ' HG13 ' A' ' 71' ' ' ILE . 67.1 mtt -149.14 146.05 27.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.753 0.311 . . . . 0.0 110.726 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.494 HD13 ' HG2' ' B' ' 45' ' ' GLU . 6.9 mm -111.72 130.75 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.647 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.535 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 73.3 m-85 -106.2 157.78 17.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.138 0.494 . . . . 0.0 111.917 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -106.46 108.57 20.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.364 178.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.024 0.44 . . . . 0.0 111.463 -178.687 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.774 0.321 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 16.9 tpt -127.17 121.45 31.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.494 ' HG2' HD13 ' A' ' 73' ' ' ILE . 34.1 mt-10 -83.72 147.22 27.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.731 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.432 HG21 ' O ' ' A' ' 72' ' ' MET . 33.8 m -128.58 135.77 28.1 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.312 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 64.9 Cg_endo -101.66 150.49 0.32 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.219 2.613 . . . . 0.0 112.402 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.61 139.01 92.96 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.96 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -68.72 -41.65 5.65 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.285 1.99 . . . . 0.0 112.444 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -150.26 158.53 44.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.05 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.22 153.74 39.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . 0.466 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . 171.87 173.7 38.87 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.498 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 25.1 t -98.23 143.27 13.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.963 0.411 . . . . 0.0 111.488 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 52.7 t -74.87 114.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.012 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -83.21 -52.15 6.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -165.48 147.26 7.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 56.3 tp -78.87 145.51 34.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.049 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -114.97 -34.61 5.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 31.1 m -118.83 139.97 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.443 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.538 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.9 OUTLIER -91.97 151.0 20.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 41.4 t -61.27 129.27 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.011 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.6 -3.32 42.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.544 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -102.56 123.26 45.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.707 0.289 . . . . 0.0 110.803 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -56.92 170.07 0.46 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.295 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.401 HG13 ' HA ' ' A' ' 51' ' ' ALA . 4.3 p -128.32 161.28 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.027 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -144.6 150.76 37.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.021 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 68.5 p -59.24 121.35 11.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.311 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.13 -9.16 31.35 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.492 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 39.1 t -98.36 131.87 44.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 67.5 mt -72.13 164.23 26.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.546 HG13 ' H ' ' B' ' 72' ' ' MET . 10.2 pt -127.01 -55.34 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.602 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.546 ' H ' HG13 ' B' ' 71' ' ' ILE . 66.3 mtt -150.25 144.6 25.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.041 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.491 HD13 ' HG2' ' A' ' 45' ' ' GLU . 4.4 mm -110.22 136.48 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.225 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.466 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 68.5 m-85 -112.66 155.67 24.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 111.453 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -104.32 100.16 9.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.333 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.36 -179.582 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 79.6 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.832 0.348 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.0 tpp -146.4 119.83 9.04 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.6 156.72 37.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.17 150.51 76.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 66.1 Cg_endo -101.69 165.54 0.33 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.313 2.675 . . . . 0.0 112.38 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.39 145.53 59.78 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.847 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.71 -51.81 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.4 2.067 . . . . 0.0 112.567 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -145.06 151.96 39.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.07 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.54 143.3 41.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.56 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -168.53 -167.93 29.87 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.305 -0.95 . . . . 0.0 113.227 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.46 HG12 ' HG2' ' B' ' 64' ' ' LYS . 59.8 t -134.8 128.23 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.714 0.292 . . . . 0.0 110.733 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.3 t -71.74 101.99 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.067 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -123.4 -33.03 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.01 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' HB2' ' HB ' ' A' ' 73' ' ' ILE . 16.1 mm-40 -117.09 92.98 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.214 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.407 HD22 ' ND2' ' A' ' 60' ' ' ASN . 6.3 tt -69.36 142.06 54.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.802 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 70' ' ' LEU . 3.5 tmtp? -113.87 -46.09 3.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.723 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 t -118.69 164.73 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.407 ' ND2' HD22 ' A' ' 57' ' ' LEU . 4.7 m120 -109.5 151.12 27.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.752 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.4 t -63.33 127.9 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.098 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.43 3.81 53.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.437 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -104.7 123.43 47.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.063 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.48 ' HG2' HG12 ' B' ' 53' ' ' VAL . 96.3 mttt -51.45 151.3 3.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.18 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 p -114.3 157.56 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -140.47 133.87 29.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.663 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.6 m -52.23 134.04 33.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.43 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.62 -18.27 50.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.558 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.0 m -95.53 153.93 17.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.77 0.319 . . . . 0.0 110.79 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 76.5 mt -80.38 158.84 25.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.533 HG13 ' H ' ' A' ' 72' ' ' MET . 12.6 pt -117.68 -52.67 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.533 ' H ' HG13 ' A' ' 71' ' ' ILE . 62.9 mtt -150.25 166.42 29.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.421 ' HB ' ' HB2' ' A' ' 56' ' ' GLU . 39.1 mt -128.36 130.58 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.743 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.56 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 49.8 m-85 -113.02 151.12 31.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.986 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 34.5 tt0 -119.57 92.23 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.916 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 -179.565 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 84.7 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.708 0.289 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 52.2 tpp -140.85 121.82 14.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.054 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.53 156.87 34.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.754 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.28 150.82 77.04 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.416 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 69.5 Cg_endo -101.74 167.97 0.31 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.323 2.682 . . . . 0.0 112.428 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.13 144.75 51.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.68 -49.88 0.72 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.32 2.013 . . . . 0.0 112.705 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -147.27 153.23 39.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.86 142.23 57.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . 0.578 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . -170.18 -164.39 25.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.676 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.48 HG12 ' HG2' ' A' ' 64' ' ' LYS . 60.1 t -133.71 134.03 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.34 . . . . 0.0 111.1 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 69.6 t -75.41 101.79 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -123.13 -34.16 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.975 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.408 ' HB2' ' HB ' ' B' ' 73' ' ' ILE . 14.7 mm-40 -116.11 95.67 5.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.229 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.405 HD22 ' ND2' ' B' ' 60' ' ' ASN . 6.0 tt -71.35 143.19 50.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . 0.424 ' NZ ' ' HB2' ' B' ' 70' ' ' LEU . 3.6 tmtp? -115.58 -46.25 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.777 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -118.44 162.67 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.405 ' ND2' HD22 ' B' ' 57' ' ' LEU . 4.6 m120 -107.94 151.23 26.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.25 126.99 22.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.24 1.02 47.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.578 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.09 128.06 48.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.984 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.46 ' HG2' HG12 ' A' ' 53' ' ' VAL . 96.2 mttt -56.21 150.61 13.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.1 p -112.02 160.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -143.87 135.37 25.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.885 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.3 m -53.56 132.88 41.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.359 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.91 -19.83 42.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 51.1 m -94.14 154.42 17.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.808 0.337 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 68.8 mt -81.56 158.37 24.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.756 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.509 HG13 ' H ' ' B' ' 72' ' ' MET . 12.9 pt -117.23 -52.14 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.215 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.509 ' H ' HG13 ' B' ' 71' ' ' ILE . 63.9 mtt -151.02 166.66 30.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.408 ' HB ' ' HB2' ' B' ' 56' ' ' GLU . 36.9 mt -127.43 135.72 62.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.503 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.578 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 41.6 m-85 -119.81 145.34 46.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.864 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . 0.52 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 27.5 tt0 -114.42 93.21 4.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.351 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.308 -179.713 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.599 0.238 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 45.7 tpp -142.58 123.16 14.09 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.027 0.441 . . . . 0.0 111.336 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -78.12 136.25 37.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.847 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 35.3 m -115.06 141.34 26.84 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.071 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.488 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 73.6 Cg_endo -101.48 172.22 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.299 2.666 . . . . 0.0 112.606 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.74 141.22 38.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.59 -44.98 1.86 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.536 2.157 . . . . 0.0 112.803 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -142.09 159.59 41.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.021 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.13 152.35 44.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.703 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.65 159.71 12.76 Favored Glycine 0 C--O 1.228 -0.277 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.803 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.606 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 17.2 m -97.17 139.56 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 120.97 0.414 . . . . 0.0 110.981 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.4 t -73.74 133.09 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -128.5 -48.67 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -135.73 108.13 7.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.149 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -75.03 177.75 6.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.728 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -129.78 -38.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.777 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.21 143.33 32.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.543 HD21 ' N ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -96.9 150.92 20.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.699 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.0 t -56.99 130.19 19.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.8 -4.07 61.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.377 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -104.1 115.73 30.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.798 0.333 . . . . 0.0 111.184 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.663 ' HA ' ' HA ' ' B' ' 53' ' ' VAL . 22.5 ptmt -47.82 169.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.147 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.2 p -135.12 164.96 32.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.645 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -141.4 152.38 44.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 111.021 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.2 p -59.92 127.94 34.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.205 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.86 -3.77 62.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.598 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 t -101.85 137.35 40.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.481 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 85.0 mt -66.35 161.48 22.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.033 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.8 pt -128.27 -38.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.292 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 56.0 ttm -164.89 158.37 17.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.878 0.371 . . . . 0.0 111.07 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.3 mt -129.15 129.83 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.437 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -101.34 126.5 48.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.907 0.384 . . . . 0.0 111.62 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -93.17 92.49 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.064 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.978 -179.593 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.66 0.267 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 45.4 tpp -138.52 127.15 23.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.026 0.441 . . . . 0.0 111.326 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.63 136.31 35.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 34.7 m -113.57 140.67 24.83 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.18 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 68.5 Cg_endo -101.34 174.76 0.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.181 2.587 . . . . 0.0 112.438 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.64 140.09 33.51 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.16 -45.69 1.8 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.482 2.121 . . . . 0.0 112.58 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -141.84 162.42 35.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.976 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.92 149.9 39.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.969 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.8 161.45 17.44 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.149 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.663 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 7.6 m -97.32 143.02 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.007 0.432 . . . . 0.0 111.284 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.4 t -74.72 135.49 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.07 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -131.77 -49.12 0.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.101 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -135.64 109.18 7.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -76.46 178.71 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.711 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -130.39 -38.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.706 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.9 142.94 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.531 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.9 OUTLIER -96.6 151.04 19.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.795 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 42.5 t -56.94 130.37 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.68 -10.74 60.95 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -97.43 124.76 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.794 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 22.2 ptmt -55.93 174.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.73 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.1 p -137.64 165.05 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.334 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -144.26 152.67 41.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 0.0 111.015 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 75.1 p -59.79 128.98 39.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.317 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.21 -6.54 66.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.632 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 43.5 t -98.79 137.94 36.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 111.078 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 79.6 mt -68.24 161.09 27.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 29.4 pt -128.0 -36.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.502 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 54.7 ttm -167.38 155.74 9.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.922 0.391 . . . . 0.0 111.217 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 38.6 mt -125.77 136.68 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.132 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -108.79 124.09 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 111.439 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -90.39 92.75 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.225 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.104 -179.614 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.652 0.263 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 17.8 ttt -144.53 125.52 14.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.884 0.373 . . . . 0.0 111.422 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.492 ' HG2' HG12 ' B' ' 73' ' ' ILE . 25.8 mt-10 -76.46 99.33 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.451 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 31.8 m -72.07 130.9 85.91 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.302 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 69.3 Cg_endo -101.63 167.84 0.32 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.187 2.592 . . . . 0.0 112.467 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.93 140.08 77.15 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.27 -45.82 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.382 2.055 . . . . 0.0 112.646 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -143.8 156.53 44.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.979 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.61 155.84 38.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.795 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.77 -160.56 26.39 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.302 -0.952 . . . . 0.0 113.19 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.7 t -129.85 124.79 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.768 0.318 . . . . 0.0 110.59 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.51 100.71 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.152 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -79.58 -53.21 7.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.17 144.02 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.101 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -105.94 172.12 6.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.766 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -134.59 6.01 3.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.327 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.68 140.37 42.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.939 0.399 . . . . 0.0 111.26 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.481 HD21 ' N ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -106.38 148.38 28.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.864 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.5 t -64.87 120.74 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.61 -14.04 17.78 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -92.67 117.92 30.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 111.029 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.601 ' HB3' ' HZ2' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -53.79 158.6 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.232 179.745 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.4 HG21 ' N ' ' A' ' 66' ' ' LYS . 8.9 p -114.95 161.87 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.136 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.4 ' N ' HG21 ' A' ' 65' ' ' VAL . 37.3 mtmm -140.22 161.11 38.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.672 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.5 p -73.09 118.6 16.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.36 -2.61 28.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.593 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.2 p -101.63 131.57 47.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.348 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.474 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 74.3 mt -68.21 170.41 8.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.75 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.486 HG13 ' H ' ' A' ' 72' ' ' MET . 14.6 pt -136.11 -51.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.305 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.486 ' H ' HG13 ' A' ' 71' ' ' ILE . 72.3 mtm -149.3 164.76 33.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.779 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.464 HG12 ' HG2' ' B' ' 45' ' ' GLU . 3.4 mp -134.98 129.81 51.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.577 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -108.92 124.84 51.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 111.571 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -91.03 92.57 8.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.012 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.931 -179.748 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.683 0.278 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 18.1 ttt -140.2 130.38 25.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.891 0.377 . . . . 0.0 111.169 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.464 ' HG2' HG12 ' A' ' 73' ' ' ILE . 29.3 mt-10 -80.78 102.35 9.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.265 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.447 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 35.9 m -74.25 130.56 82.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.533 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.474 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 76.3 Cg_endo -101.78 168.66 0.31 Allowed 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.284 2.656 . . . . 0.0 112.433 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.92 139.97 73.73 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.33 -44.44 1.13 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.359 2.039 . . . . 0.0 112.629 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -145.44 157.34 44.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 111.104 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.24 153.34 42.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.066 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.0 -156.38 18.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.628 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.6 t -130.1 128.51 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 111.086 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.8 t -73.71 101.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.058 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -80.5 -53.27 6.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.6 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.79 145.81 9.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.027 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -108.01 170.49 7.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.851 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -133.02 6.27 3.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.309 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.02 139.87 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 111.465 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.501 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.9 OUTLIER -106.02 149.19 26.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.618 179.775 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 45.2 t -66.1 121.44 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.72 -14.45 17.32 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -92.31 120.57 32.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.766 0.317 . . . . 0.0 110.794 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.603 ' HZ2' ' HB3' ' B' ' 64' ' ' LYS . 0.3 OUTLIER -56.35 158.19 4.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.403 HG21 ' N ' ' B' ' 66' ' ' LYS . 5.6 p -113.26 164.08 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.403 ' N ' HG21 ' B' ' 65' ' ' VAL . 37.2 mtmm -143.38 162.02 36.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.853 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 72.0 p -73.47 117.9 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.79 -0.27 28.86 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.668 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 88.2 p -104.22 130.96 51.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.816 0.341 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 73.6 mt -67.92 170.43 8.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.798 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.495 HG13 ' H ' ' B' ' 72' ' ' MET . 14.7 pt -136.4 -51.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.495 ' H ' HG13 ' B' ' 71' ' ' ILE . 73.5 mtm -149.44 165.6 31.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.492 HG12 ' HG2' ' A' ' 45' ' ' GLU . 3.1 mp -135.23 135.69 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.206 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -114.93 122.72 47.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.26 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -89.04 92.58 9.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.874 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 -179.558 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.543 ' HB2' ' HA ' ' B' ' 75' ' ' GLU . 47.1 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.716 0.293 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 56.9 ttp -152.82 129.38 10.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.192 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -69.11 148.63 49.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.649 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.0 m -124.73 144.53 46.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -101.78 146.75 0.27 Allowed 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 123.228 2.619 . . . . 0.0 112.37 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.77 145.27 78.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.012 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.27 -50.54 0.72 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.457 2.104 . . . . 0.0 112.479 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -146.6 149.62 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.82 145.3 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.421 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -173.23 -169.95 36.27 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.855 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.7 t -129.38 130.93 67.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.76 0.314 . . . . 0.0 110.483 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.6 t -71.52 109.68 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.042 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -112.81 -47.98 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.766 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -124.6 106.68 10.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.03 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.7 tp -89.94 124.01 34.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.716 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -104.1 -3.02 25.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.455 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.0 m -118.98 141.52 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 111.271 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -124.71 151.64 44.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.747 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.9 t -54.05 119.88 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.26 13.25 57.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -104.22 108.99 20.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.461 ' HZ1' ' HD2' ' A' ' 66' ' ' LYS . 14.0 ptmm? -48.92 150.99 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.342 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.94 156.26 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.802 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HD2' ' HZ1' ' A' ' 64' ' ' LYS . 55.0 mtpt -138.69 148.94 44.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.6 m -62.1 129.78 42.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.27 -16.67 58.89 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.0 t -84.21 157.27 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mp -79.48 155.69 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.767 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 72' ' ' MET . 19.0 pt -128.87 -48.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.617 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.455 ' N ' HG13 ' A' ' 71' ' ' ILE . 9.8 ptm -168.1 143.31 3.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.816 0.341 . . . . 0.0 111.141 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.1 mt -110.15 138.88 35.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.421 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 58.9 m-85 -111.12 130.23 55.68 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.506 ' HA ' ' HB2' ' B' ' 43' ' ' SER . 40.0 tt0 -93.67 92.28 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.595 -178.794 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 48.3 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.608 0.242 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 60.1 ttp -148.02 130.35 15.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.34 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -70.31 150.2 46.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.534 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 32.7 m -125.79 145.01 50.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.262 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 76.9 Cg_endo -101.62 150.46 0.32 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.286 2.657 . . . . 0.0 112.532 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.23 144.49 94.68 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.821 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.46 -49.33 1.26 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.49 2.127 . . . . 0.0 112.634 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -147.99 151.31 35.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.063 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.98 144.64 44.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.1 -163.59 28.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.61 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 45.1 t -130.93 134.94 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 111.109 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.3 t -74.16 109.66 7.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -112.8 -50.24 2.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.972 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -122.43 108.53 13.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 32.9 tp -91.08 124.32 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.662 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -104.13 -3.13 24.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.415 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.87 141.83 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 111.362 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -125.03 151.49 45.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.573 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.42 119.59 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.085 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.9 10.67 58.56 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.581 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -101.47 112.49 25.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.709 0.29 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.542 ' HZ1' ' HD2' ' B' ' 66' ' ' LYS . 13.9 ptmm? -52.49 150.1 5.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.262 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.18 158.5 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.81 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.542 ' HD2' ' HZ1' ' B' ' 64' ' ' LYS . 55.4 mtpt -142.49 150.28 40.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 111.09 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.8 m -63.46 129.34 39.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.16 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.51 -17.59 57.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.532 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 47.3 t -82.92 157.97 22.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 8.0 mp -81.63 153.64 26.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.806 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.466 HG13 ' N ' ' B' ' 72' ' ' MET . 20.9 pt -126.76 -49.0 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.782 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.466 ' N ' HG13 ' B' ' 71' ' ' ILE . 10.1 ptm -168.14 142.37 3.41 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.79 0.328 . . . . 0.0 111.329 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 38.1 mt -107.1 145.85 14.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.45 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -118.84 126.79 52.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.736 0.303 . . . . 0.0 111.686 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . 0.543 ' HA ' ' HB2' ' A' ' 43' ' ' SER . 40.0 tt0 -90.83 92.74 8.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.693 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.4 -178.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.629 0.252 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.5 tpt -151.7 121.13 6.85 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.876 0.37 . . . . 0.0 111.321 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HG2' HG12 ' B' ' 73' ' ' ILE . 24.5 mt-10 -65.23 147.57 53.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.755 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.8 m -121.51 137.51 27.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 64.2 Cg_endo -101.66 170.26 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.162 2.574 . . . . 0.0 112.493 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.11 143.11 69.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.68 -42.37 2.49 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.385 2.057 . . . . 0.0 112.457 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -146.83 152.05 38.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.99 146.4 47.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.407 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.46 -168.51 33.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.231 -0.985 . . . . 0.0 112.979 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.64 125.15 70.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.638 0.256 . . . . 0.0 110.823 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.7 t -71.57 108.66 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.956 0.408 . . . . 0.0 111.089 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -84.2 -67.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.796 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -149.74 127.54 11.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.793 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -58.98 152.49 19.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.816 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -112.73 -21.45 11.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.782 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.3 m -121.44 155.99 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -107.04 151.05 25.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.648 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.94 124.07 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.82 15.4 20.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.32 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -116.56 115.42 25.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.837 0.351 . . . . 0.0 111.085 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -49.38 142.76 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.26 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -110.85 157.58 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.04 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' H ' ' HG ' ' A' ' 69' ' ' SER . 29.3 mtpp -142.49 157.21 44.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.0 p -61.95 121.25 12.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.71 -7.13 33.61 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.663 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.41 ' HG ' ' H ' ' A' ' 66' ' ' LYS . 96.3 p -91.55 141.69 28.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.849 0.357 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.1 mt -83.75 146.64 28.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.758 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.513 HG13 ' H ' ' A' ' 72' ' ' MET . 9.4 pt -112.3 -52.59 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.463 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.513 ' H ' HG13 ' A' ' 71' ' ' ILE . 66.6 mtt -148.62 169.53 20.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.96 0.409 . . . . 0.0 111.248 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.441 HG12 ' HG2' ' B' ' 45' ' ' GLU . 35.4 mt -132.64 129.78 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.605 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -107.79 133.34 52.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 111.785 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -101.71 92.66 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.865 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.182 -179.439 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.644 0.259 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 15.5 tpt -146.23 125.28 12.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.061 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.441 ' HG2' HG12 ' A' ' 73' ' ' ILE . 28.5 mt-10 -68.37 148.93 50.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.725 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -121.81 137.36 27.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.072 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -101.78 172.97 0.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.261 2.641 . . . . 0.0 112.617 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.29 142.63 59.02 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.02 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.83 -43.11 1.9 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.363 2.042 . . . . 0.0 112.498 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -146.61 154.0 40.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.034 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.21 141.31 57.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -168.89 -162.76 21.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.572 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -124.13 129.72 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 111.202 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 73.2 t -74.49 109.12 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -85.62 -67.81 0.78 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -149.84 126.0 10.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -57.02 152.57 12.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.657 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -112.78 -21.88 10.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.706 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 26.7 m -120.6 155.87 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -107.3 150.29 26.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.764 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 46.1 t -66.26 124.77 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.14 13.08 25.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -114.69 120.14 39.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -53.91 142.18 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.091 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.16 158.13 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.987 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.402 ' H ' ' HG ' ' B' ' 69' ' ' SER . 29.4 mtpp -144.18 158.66 43.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.018 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 71.7 p -62.65 122.06 14.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.34 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.52 -10.93 35.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.697 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' SER . . . . . 0.402 ' HG ' ' H ' ' B' ' 66' ' ' LYS . 96.9 p -88.18 143.24 27.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 111.078 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 62.9 mt -85.8 146.52 26.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.735 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.522 HG13 ' H ' ' B' ' 72' ' ' MET . 10.3 pt -112.2 -52.75 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.601 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.522 ' H ' HG13 ' B' ' 71' ' ' ILE . 64.6 mtt -148.61 168.62 22.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.031 0.443 . . . . 0.0 111.336 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.42 HG12 ' HG2' ' A' ' 45' ' ' GLU . 27.7 mt -129.8 138.82 53.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.012 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -117.81 129.56 55.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.846 0.355 . . . . 0.0 111.464 -179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -97.92 92.72 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.228 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.959 -179.623 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.747 0.308 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.0 tpt -140.34 119.61 12.95 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -76.62 122.61 24.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.859 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.8 m -96.64 141.73 23.52 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 79.8 Cg_endo -101.83 169.48 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.183 2.589 . . . . 0.0 112.539 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.49 143.96 42.31 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.54 -43.21 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.499 2.133 . . . . 0.0 112.915 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -147.11 152.76 39.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.773 0.321 . . . . 0.0 111.15 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.07 150.55 47.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.492 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.14 -159.26 23.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.214 -0.994 . . . . 0.0 113.068 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.49 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 31.9 t -132.03 143.62 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.647 0.261 . . . . 0.0 110.562 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -71.78 118.21 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.92 0.391 . . . . 0.0 110.976 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -81.36 -61.08 2.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -160.34 134.62 7.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.448 ' HB2' HG23 ' B' ' 61' ' ' VAL . 6.6 tt -73.99 141.49 45.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.81 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.546 ' HZ2' HD12 ' A' ' 73' ' ' ILE . 19.7 ptpt -125.56 -13.63 6.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.287 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.516 HG13 ' HG3' ' A' ' 58' ' ' LYS . 27.4 m -120.29 139.73 46.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.913 0.387 . . . . 0.0 111.467 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -101.75 151.45 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.452 HG23 ' HB2' ' B' ' 57' ' ' LEU . 43.7 t -52.95 119.97 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.51 15.0 28.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.437 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -103.86 100.72 10.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 111.095 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' HA ' ' HA ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -48.15 153.07 0.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.352 179.71 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 p -115.88 163.19 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.942 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -140.76 150.69 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.847 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.9 p -59.0 122.99 15.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.188 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.25 -3.43 51.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.515 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.0 t -101.66 130.06 47.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.491 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 77.2 mt -67.0 160.04 27.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.781 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.526 HG13 ' H ' ' A' ' 72' ' ' MET . 12.7 pt -122.34 -52.13 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.403 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.526 ' H ' HG13 ' A' ' 71' ' ' ILE . 96.4 mmm -145.88 167.47 23.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.828 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.546 HD12 ' HZ2' ' A' ' 58' ' ' LYS . 18.4 mt -134.43 129.33 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -107.0 152.93 23.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.993 0.425 . . . . 0.0 111.6 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -114.37 94.46 4.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.239 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 121.08 0.466 . . . . 0.0 111.769 -179.285 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 C--O 1.231 0.106 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 16.3 tpt -122.29 126.91 49.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.998 0.427 . . . . 0.0 111.76 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -83.14 118.28 23.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.247 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.4 m -91.97 141.2 25.1 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.521 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.491 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 68.1 Cg_endo -101.85 170.46 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 123.277 2.651 . . . . 0.0 112.409 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.25 143.19 41.75 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.856 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.81 -42.2 1.21 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.455 2.103 . . . . 0.0 112.676 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -148.2 154.52 40.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 111.108 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.01 147.85 49.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.06 -156.79 17.43 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.586 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 33.4 t -131.29 144.89 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 0.0 111.002 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -71.88 119.11 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -82.52 -63.77 1.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -157.4 136.22 11.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.452 ' HB2' HG23 ' A' ' 61' ' ' VAL . 6.6 tt -75.97 140.68 42.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.766 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . 0.514 ' HG3' HG13 ' B' ' 59' ' ' VAL . 19.8 ptpt -124.97 -12.23 7.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.523 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.514 HG13 ' HG3' ' B' ' 58' ' ' LYS . 25.4 m -121.76 139.69 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.95 0.405 . . . . 0.0 111.445 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -102.07 151.47 22.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.448 HG23 ' HB2' ' A' ' 57' ' ' LEU . 41.9 t -52.56 119.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.41 12.98 31.83 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.645 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -101.98 103.08 13.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.746 0.307 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -50.56 153.63 1.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.34 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 p -114.67 165.11 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -143.62 151.37 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.861 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 78.7 p -59.89 122.9 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.242 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.7 -2.62 52.8 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.44 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.2 t -102.51 129.63 49.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.341 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 79.8 mt -66.8 160.45 25.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.806 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.517 HG13 ' H ' ' B' ' 72' ' ' MET . 14.1 pt -122.78 -52.41 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.319 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.517 ' H ' HG13 ' B' ' 71' ' ' ILE . 95.1 mmm -146.45 166.97 24.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.927 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.499 HD12 ' HZ2' ' B' ' 58' ' ' LYS . 12.2 mt -133.16 135.28 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.436 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -113.08 152.62 29.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.032 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -114.18 92.9 4.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.854 179.829 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 47.0 t . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.643 0.259 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 65.5 mtt -145.96 119.84 9.32 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.861 0.362 . . . . 0.0 111.267 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' HG2' HD12 ' B' ' 73' ' ' ILE . 32.1 mt-10 -67.79 153.01 44.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.851 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.5 m -136.59 139.58 29.73 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.025 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 70.5 Cg_endo -101.78 154.55 0.35 Allowed 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.211 2.607 . . . . 0.0 112.639 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.37 148.62 97.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.17 -48.8 0.33 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.435 2.09 . . . . 0.0 112.632 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -149.86 153.27 36.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.972 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.78 141.52 55.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.669 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.442 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -164.03 -167.03 23.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.915 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.9 t -135.59 129.75 49.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.754 0.311 . . . . 0.0 110.476 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.0 t -71.4 101.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -100.17 -39.87 7.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -149.19 108.34 3.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -65.47 170.83 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.0 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -128.62 -38.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 t -118.58 162.76 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.747 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -111.56 147.53 35.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.677 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.2 t -62.8 120.93 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.62 -6.26 14.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -104.34 125.8 50.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -55.12 157.03 3.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.993 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.3 p -114.51 159.58 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.233 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -141.33 157.57 45.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.692 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.8 p -64.34 132.76 51.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.33 -13.23 67.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.561 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.4 t -89.52 142.29 27.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.432 HD23 HD13 ' A' ' 73' ' ' ILE . 7.3 mp -79.09 165.84 22.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 72' ' ' MET . 19.7 pt -126.24 -47.79 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.577 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.46 ' N ' HG13 ' A' ' 71' ' ' ILE . 19.5 ptp -165.67 145.05 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.693 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.463 HD12 ' HG2' ' B' ' 45' ' ' GLU . 8.9 mm -106.68 133.03 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 111.265 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.442 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 55.9 m-85 -107.69 161.34 14.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.879 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 28.6 tt0 -129.78 92.1 3.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.192 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.511 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 45.0 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.699 0.285 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 66.7 mtt -139.18 124.57 19.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.015 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.463 ' HG2' HD12 ' A' ' 73' ' ' ILE . 34.2 mt-10 -72.38 152.15 42.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.442 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 24.9 m -134.34 138.87 31.24 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.371 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 64.3 Cg_endo -101.73 155.83 0.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.233 2.622 . . . . 0.0 112.471 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.23 148.39 98.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.52 -47.98 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.354 2.036 . . . . 0.0 112.857 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -150.04 154.69 38.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.99 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.59 141.36 58.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.268 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.75 -159.72 12.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.495 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.4 t -137.67 133.33 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.75 0.31 . . . . 0.0 111.259 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.3 t -73.01 102.29 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -100.26 -40.23 7.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -149.13 109.29 4.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -65.6 171.83 3.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -129.19 -38.79 1.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 t -118.51 164.13 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.743 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -112.48 148.23 34.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.752 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.52 120.06 9.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.98 -6.58 13.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.601 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -103.58 126.58 50.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' B' ' 64' ' ' LYS . 0.0 OUTLIER -55.78 156.36 5.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.091 -179.74 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.0 p -112.67 160.81 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.098 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -143.68 159.69 42.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.821 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 77.0 p -66.6 131.0 45.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.2 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.87 -12.37 65.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.496 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 46.1 t -90.67 143.43 26.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.42 ' N ' HD13 ' B' ' 70' ' ' LEU . 7.6 mp -80.74 166.25 21.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.736 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.449 HG13 ' N ' ' B' ' 72' ' ' MET . 21.0 pt -127.1 -46.25 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.546 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.449 ' N ' HG13 ' B' ' 71' ' ' ILE . 20.3 ptp -168.07 143.96 3.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.885 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.449 HD12 ' HG2' ' A' ' 45' ' ' GLU . 5.6 mm -105.17 139.72 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.72 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 43' ' ' SER . 47.3 m-85 -115.42 159.28 21.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.292 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 20.7 tt0 -127.08 92.41 3.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.883 0.373 . . . . 0.0 110.327 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.795 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.681 0.277 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 26.3 mmt -128.78 121.8 29.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.918 0.389 . . . . 0.0 111.409 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' HB3' HD22 ' B' ' 70' ' ' LEU . 2.3 mp0 -79.17 146.75 32.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.677 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.6 m -129.89 150.42 75.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -101.3 166.75 0.35 Allowed 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 123.202 2.601 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.51 141.67 52.9 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.81 -49.92 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.42 2.08 . . . . 0.0 112.437 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -145.47 151.41 38.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' B' ' 66' ' ' LYS . . . -62.46 126.38 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.03 -178.03 23.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.548 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.418 HG13 ' HD3' ' B' ' 64' ' ' LYS . 63.9 t -116.4 119.98 63.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.781 0.324 . . . . 0.0 110.645 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.9 t -71.57 126.46 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.001 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -143.39 -39.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.286 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -127.52 100.06 5.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.961 0.41 . . . . 0.0 111.366 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -71.19 162.45 29.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.818 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -134.08 5.91 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.5 m -142.43 147.9 20.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.206 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -110.35 150.93 28.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.795 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.77 120.4 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.464 ' H ' HG12 ' B' ' 54' ' ' VAL . . . 95.19 4.16 61.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.416 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -98.1 125.69 43.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 111.05 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HD3' HG13 ' B' ' 53' ' ' VAL . 34.9 mmtp -51.75 155.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.167 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -142.02 144.74 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.001 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -137.56 161.8 35.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.4 p -58.05 142.51 46.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.55 -25.32 19.05 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.645 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.7 m -79.28 136.61 37.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.747 0.308 . . . . 0.0 111.055 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.45 HD22 ' HB3' ' B' ' 45' ' ' GLU . 76.0 mt -68.24 128.26 35.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.736 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.441 HG13 ' N ' ' A' ' 72' ' ' MET . 21.8 pt -93.51 -46.96 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.448 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.441 ' N ' HG13 ' A' ' 71' ' ' ILE . 50.5 ttm -167.49 149.67 5.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.738 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.8 mt -116.97 131.26 70.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.057 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -105.76 156.83 17.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.237 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -98.92 93.0 5.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.559 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.237 -178.858 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.686 0.279 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 26.3 mmt -121.71 129.04 52.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.927 0.394 . . . . 0.0 111.102 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.45 ' HB3' HD22 ' A' ' 70' ' ' LEU . 2.4 mp0 -85.44 148.51 25.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.581 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 72' ' ' MET . 35.0 m -130.56 149.78 74.46 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.262 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -101.44 166.69 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.228 2.618 . . . . 0.0 112.53 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.46 141.37 52.75 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.82 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.9 -49.0 1.62 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.429 2.086 . . . . 0.0 112.525 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -146.4 152.84 39.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.43 129.21 39.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.284 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -156.07 -173.78 25.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.202 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.468 HG13 ' HD3' ' A' ' 64' ' ' LYS . 58.7 t -116.49 124.79 73.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.018 0.437 . . . . 0.0 111.503 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 62' ' ' GLY . 83.3 t -74.13 127.44 35.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.865 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -144.63 -38.56 0.28 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.462 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -127.94 100.11 5.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.844 0.354 . . . . 0.0 111.305 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -71.64 162.36 29.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.669 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -133.35 3.39 3.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.986 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 28.9 m -139.46 149.06 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.228 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -111.47 150.63 29.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.639 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.61 119.73 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.92 1.69 59.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.281 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -95.67 130.36 42.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.734 0.302 . . . . 0.0 110.816 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.418 ' HD3' HG13 ' A' ' 53' ' ' VAL . 34.7 mmtp -56.77 155.41 7.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.0 p -140.66 145.79 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 51' ' ' ALA . 97.2 mttt -139.73 162.22 35.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 72.6 p -58.33 140.9 52.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.261 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.98 -23.03 31.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.599 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 63.3 m -81.19 135.96 35.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.95 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.478 HD22 ' HB3' ' A' ' 45' ' ' GLU . 71.8 mt -67.93 127.9 34.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.723 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.442 HG13 ' N ' ' B' ' 72' ' ' MET . 20.2 pt -93.22 -46.9 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.377 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.442 ' N ' HG13 ' B' ' 71' ' ' ILE . 49.7 ttm -168.47 148.83 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 15.5 mt -114.06 137.37 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.662 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -113.13 150.93 31.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.979 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -93.33 92.02 7.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.899 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.19 -179.554 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.7 0.286 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.8 tpt -126.48 119.41 27.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.957 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HG3' HG12 ' B' ' 73' ' ' ILE . 2.8 mp0 -78.97 139.89 38.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.704 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.428 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 34.7 m -117.75 143.34 32.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.847 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 53.1 Cg_endo -101.91 161.72 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.264 2.643 . . . . 0.0 112.613 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.14 141.15 70.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.198 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.74 -42.01 1.92 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.472 2.114 . . . . 0.0 112.551 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.59 150.64 33.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.981 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.57 153.25 32.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.574 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.432 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . 174.1 163.25 27.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.181 -1.009 . . . . 0.0 113.171 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.86 132.9 41.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.744 0.306 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 88.3 t -74.37 125.35 33.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -117.65 -52.32 2.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -137.1 118.55 14.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -73.73 165.58 24.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' HG2' ' HB2' ' A' ' 70' ' ' LEU . 28.2 tptp -110.25 -44.42 3.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -122.86 154.77 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.525 HD21 ' N ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -94.21 151.1 19.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.813 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.1 t -57.24 122.45 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.012 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.75 0.51 32.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.39 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -104.29 124.83 49.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.876 0.369 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -54.37 173.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.39 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.73 161.18 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -143.96 153.3 42.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.5 p -61.61 126.85 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.82 -7.21 52.81 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.557 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.3 m -103.12 136.86 42.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.75 0.31 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.448 ' HB2' ' HG2' ' A' ' 58' ' ' LYS . 64.6 mt -64.5 167.01 7.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.793 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.4 pt -136.29 -33.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.626 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 55.4 tpp -166.1 158.46 14.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.89 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.412 HG12 ' HG3' ' B' ' 45' ' ' GLU . 23.5 mt -128.86 128.68 67.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.432 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 90.0 m-85 -109.0 154.19 22.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 111.852 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -94.72 95.85 9.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.777 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.511 -179.025 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 56.7 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.718 0.294 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 17.3 tpt -119.25 123.83 45.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.412 ' HG3' HG12 ' A' ' 73' ' ' ILE . 3.1 mp0 -82.59 140.57 33.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.761 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -118.0 142.89 31.68 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.09 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -101.29 166.21 0.35 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.021 2.48 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.72 141.0 55.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.74 -41.65 2.1 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.28 1.987 . . . . 0.0 112.396 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -150.19 152.71 35.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.979 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.48 148.49 50.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.108 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 177.16 168.63 37.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.259 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 33.3 t -97.86 137.46 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 111.382 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.5 t -78.14 124.42 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.812 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -117.43 -54.16 2.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.289 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.04 120.7 19.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.047 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -75.74 166.38 23.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.538 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . 0.466 ' HG2' ' HB2' ' B' ' 70' ' ' LEU . 28.3 tptp -110.93 -44.29 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -123.73 152.45 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.254 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.534 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.9 OUTLIER -91.98 151.31 20.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.883 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 61.7 t -57.68 122.23 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.12 -1.61 29.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.436 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -102.22 128.19 48.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 110.817 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -57.26 175.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 p -138.46 160.24 31.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -144.66 154.15 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.072 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 75.4 p -61.81 126.4 27.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.256 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.23 -6.2 53.25 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 64.8 m -103.65 135.87 44.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.334 . . . . 0.0 111.013 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.466 ' HB2' ' HG2' ' B' ' 58' ' ' LYS . 68.5 mt -65.12 165.29 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 25.7 pt -134.5 -34.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.677 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 54.5 tpp -165.1 157.51 15.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.774 0.321 . . . . 0.0 111.035 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.412 HG12 ' HG3' ' A' ' 45' ' ' GLU . 16.8 mt -127.33 131.72 70.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.301 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -111.92 152.68 27.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 111.206 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -93.34 92.71 7.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.264 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.41 -179.458 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' B' ' 74' ' ' PHE . 47.3 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.757 0.313 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.7 ttt -122.71 119.62 31.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.311 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.497 ' HG2' HD11 ' B' ' 73' ' ' ILE . 28.4 mt-10 -72.05 141.7 49.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.566 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.2 m -128.04 147.48 63.41 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.273 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -101.73 153.62 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.282 2.655 . . . . 0.0 112.562 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.82 147.38 93.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.762 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -64.16 -52.62 1.51 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.398 2.066 . . . . 0.0 112.435 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -149.69 154.4 38.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.997 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.35 138.03 57.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.395 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.488 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -164.86 -172.74 32.69 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.095 -179.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.3 t -120.21 125.97 74.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.722 0.296 . . . . 0.0 110.397 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.4 t -71.61 102.42 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.982 0.42 . . . . 0.0 111.212 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 19.0 ptpt -83.03 -45.83 13.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.997 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 40.2 tt0 -163.84 119.03 1.58 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.817 0.342 . . . . 0.0 111.152 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.78 150.11 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.954 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -118.4 -5.61 10.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.812 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.7 m -123.9 146.45 29.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.052 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -108.86 149.16 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.666 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.2 t -63.1 120.66 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.15 -21.86 36.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.393 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -77.79 110.27 12.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.742 0.306 . . . . 0.0 111.007 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -48.97 151.18 1.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.426 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -114.67 160.07 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -141.55 147.16 37.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.783 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.7 m -63.67 123.43 18.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.155 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.46 -16.56 26.65 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.823 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.1 p -87.99 158.3 18.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.777 0.323 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.19 147.14 31.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 72' ' ' MET . 19.6 pt -118.51 -44.42 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.43 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.428 ' N ' HG13 ' A' ' 71' ' ' ILE . 50.2 ttm -168.49 149.25 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.656 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.514 HD11 ' HG2' ' B' ' 45' ' ' GLU . 6.5 mm -113.55 134.6 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.153 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.488 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 57.4 m-85 -114.55 133.49 55.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.171 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 33.6 tt0 -98.62 92.84 5.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.159 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.09 0.471 . . . . 0.0 111.239 -179.743 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' ' 74' ' ' PHE . 51.0 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.723 0.297 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 22.3 ttt -113.55 125.8 54.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.514 ' HG2' HD11 ' A' ' 73' ' ' ILE . 32.5 mt-10 -78.88 139.88 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.548 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 15.4 m -124.89 146.17 52.41 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.585 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 77.0 Cg_endo -101.53 154.81 0.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.332 2.688 . . . . 0.0 112.382 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.25 145.82 98.0 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.4 -53.59 1.8 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.429 2.086 . . . . 0.0 112.415 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -148.82 158.83 44.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.872 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.75 134.06 50.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . 0.443 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . -163.18 -164.35 18.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 t -123.06 130.38 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 111.02 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.68 104.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' B' ' 56' ' ' GLU . 18.8 ptpt -84.62 -46.94 11.02 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' B' ' 55' ' ' LYS . 39.3 tt0 -162.87 119.78 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -58.34 150.23 22.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -118.52 -5.28 10.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 26.1 m -123.94 146.31 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -108.98 149.44 29.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.719 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 35.3 t -63.06 119.8 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.21 -22.73 32.29 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.611 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -76.9 113.6 14.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.705 0.288 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -52.09 149.55 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.459 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 p -111.77 161.84 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.824 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -144.41 149.35 35.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.937 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 19.6 m -65.49 122.53 17.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.32 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.89 -16.37 25.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.591 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 96.0 p -88.07 157.43 18.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.896 0.379 . . . . 0.0 111.069 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.409 HD13 ' N ' ' B' ' 70' ' ' LEU . 7.4 mp -80.08 147.04 31.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.424 HG13 ' N ' ' B' ' 72' ' ' MET . 20.1 pt -118.3 -45.32 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.289 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.424 ' N ' HG13 ' B' ' 71' ' ' ILE . 49.7 ttm -168.69 148.43 4.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.497 HD11 ' HG2' ' A' ' 45' ' ' GLU . 4.5 mm -111.49 139.38 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.819 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.443 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 53.3 m-85 -120.77 129.06 53.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.941 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 31.4 tt0 -94.11 92.99 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.194 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.532 ' HB3' ' HG2' ' B' ' 75' ' ' GLU . 82.8 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.654 0.264 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 47.0 tpp -161.72 119.56 2.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.877 0.37 . . . . 0.0 111.165 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.95 140.78 51.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.669 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.444 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 34.0 m -120.91 141.18 32.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.335 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 72.9 Cg_endo -101.61 171.48 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.293 2.662 . . . . 0.0 112.58 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.79 134.69 43.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.77 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -63.64 -52.46 1.84 Allowed 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.393 2.062 . . . . 0.0 112.458 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -141.06 152.09 44.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.16 164.46 6.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 162.7 166.29 21.23 Favored Glycine 0 C--N 1.33 0.202 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.885 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.458 HG21 ' HG2' ' B' ' 64' ' ' LYS . 35.1 t -101.01 130.93 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.822 0.344 . . . . 0.0 110.992 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.0 t -71.67 109.77 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -102.62 -32.89 9.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.838 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -165.67 135.6 3.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.298 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -126.94 163.37 23.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.569 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -121.97 19.36 10.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.254 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.99 147.09 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.197 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -124.98 150.67 46.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.671 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.3 t -62.45 121.13 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.35 -6.07 45.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.544 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -97.48 124.97 41.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 0.0 111.188 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HG2' HG21 ' B' ' 53' ' ' VAL . 95.0 mttt -55.9 174.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.508 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.56 159.24 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.828 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -142.23 154.89 45.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.6 p -63.83 129.96 42.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.12 -6.9 60.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.542 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.1 t -95.15 133.07 39.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.3 mt -69.87 139.32 53.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.779 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.547 HG13 ' H ' ' A' ' 72' ' ' MET . 19.3 pt -106.63 -53.18 6.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.653 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.547 ' H ' HG13 ' A' ' 71' ' ' ILE . 63.9 mtt -148.68 161.11 42.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.862 0.363 . . . . 0.0 111.05 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.6 mt -134.13 124.86 47.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.632 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -103.59 159.13 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 111.258 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HG2' ' HB3' ' B' ' 43' ' ' SER . 1.4 tm-20 -142.15 93.01 2.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.872 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.4 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.463 -179.372 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.513 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 80.0 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.668 0.271 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 47.3 tpp -158.67 122.38 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 111.172 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.15 140.75 45.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.616 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 34.9 m -120.34 140.88 30.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.427 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -101.75 173.15 0.27 Allowed 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.274 2.65 . . . . 0.0 112.362 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.15 134.7 40.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.95 -52.17 1.86 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.279 1.986 . . . . 0.0 112.402 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -141.4 152.51 44.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.72 164.96 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.08 170.27 25.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.562 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.433 HG21 ' HG2' ' A' ' 64' ' ' LYS . 39.6 t -101.72 134.14 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.368 . . . . 0.0 111.372 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.44 109.46 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.251 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -102.24 -36.05 8.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -161.6 141.73 10.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -133.34 162.83 30.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.387 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -122.07 19.59 10.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.219 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 29.5 m -125.89 146.29 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.256 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -124.93 151.28 45.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.644 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.07 120.74 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.42 -8.69 41.12 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.596 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.65 130.85 40.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.458 ' HG2' HG21 ' A' ' 53' ' ' VAL . 95.7 mttt -61.71 176.76 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.089 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.27 159.83 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -143.98 155.65 44.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.968 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 72.3 p -64.74 130.11 42.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.091 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.78 -6.17 60.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.439 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 46.9 t -95.93 132.58 41.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 78.1 mt -69.79 139.02 53.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.514 HG13 ' H ' ' B' ' 72' ' ' MET . 19.6 pt -106.33 -51.73 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.46 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.514 ' H ' HG13 ' B' ' 71' ' ' ILE . 65.1 mtt -150.43 161.96 41.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.896 0.379 . . . . 0.0 111.229 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 39.8 mt -135.25 127.85 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.329 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -107.6 160.29 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.928 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . 0.532 ' HG2' ' HB3' ' A' ' 43' ' ' SER . 1.7 tm-20 -142.79 92.98 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.942 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.204 -179.263 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.506 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 83.3 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.767 0.318 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.3 tpp -149.85 119.12 6.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.423 ' HG3' HG12 ' B' ' 73' ' ' ILE . 2.6 mp0 -71.29 154.21 41.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.823 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 35.8 m -127.9 138.29 32.6 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.579 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 64.7 Cg_endo -101.52 159.56 0.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.231 2.621 . . . . 0.0 112.634 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.36 130.89 85.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.82 -37.8 33.31 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.351 2.034 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -150.0 145.87 26.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.4 157.76 22.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.767 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.04 -165.96 38.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.996 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.0 t -120.59 139.01 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.682 0.277 . . . . 0.0 110.783 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.5 t -71.76 108.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.012 0.434 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -66.77 -63.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.039 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -162.35 141.59 9.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.92 132.01 52.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.642 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -120.6 -5.72 9.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.097 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.7 m -135.33 139.74 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 111.096 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.516 HD21 ' N ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -91.03 147.93 22.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.3 t -65.09 127.61 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.43 1.08 60.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.444 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -94.71 106.88 18.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 111.018 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -48.32 148.75 1.77 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.964 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 66' ' ' LYS . 3.4 p -109.73 164.68 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.291 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.401 ' H ' HG22 ' A' ' 65' ' ' VAL . 38.6 mtmm -142.06 154.17 44.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.591 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.3 p -65.82 122.37 17.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.117 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.18 -5.03 30.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.679 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.5 p -112.4 122.07 46.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.788 0.327 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.588 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 2.7 pt? -60.69 155.97 17.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 72' ' ' MET . 22.0 pt -117.18 -43.76 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.313 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.433 ' N ' HG13 ' A' ' 71' ' ' ILE . 89.6 mtp -144.06 166.21 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.806 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.406 HG12 ' HG3' ' B' ' 45' ' ' GLU . 36.8 mt -137.12 129.31 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.986 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -109.81 161.67 15.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.459 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 0.8 OUTLIER -130.18 92.75 3.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.028 179.415 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.186 -179.756 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.45 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 79.0 p . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.759 0.314 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 51.5 tpp -140.72 122.6 15.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.406 ' HG3' HG12 ' A' ' 73' ' ' ILE . 2.6 mp0 -74.46 153.48 39.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.526 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 26.8 m -126.21 137.74 30.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.971 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.588 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 75.8 Cg_endo -101.44 162.73 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.175 2.583 . . . . 0.0 112.643 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.91 130.39 81.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.86 -38.85 21.78 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.352 2.035 . . . . 0.0 112.488 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -149.05 145.83 27.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.811 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.33 157.51 31.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.19 -162.34 35.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 40.1 t -121.7 139.75 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.878 0.371 . . . . 0.0 111.273 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.56 108.47 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.095 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -66.52 -65.25 0.7 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.042 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -160.97 142.56 11.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.28 132.49 54.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.67 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -120.68 -7.36 9.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.19 139.91 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.113 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.52 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.9 OUTLIER -91.6 147.56 22.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 39.8 t -65.13 126.84 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.36 -0.92 58.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.364 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -93.07 111.16 22.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.68 0.276 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -52.47 149.57 5.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 p -109.2 164.43 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.21 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -143.48 154.88 44.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.784 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 62.3 p -66.52 120.22 13.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.57 -8.9 24.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.636 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 89.6 p -109.68 124.8 51.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.579 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 2.7 pt? -63.75 157.66 23.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.425 HG13 ' N ' ' B' ' 72' ' ' MET . 23.7 pt -118.01 -42.69 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.353 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.425 ' N ' HG13 ' B' ' 71' ' ' ILE . 88.0 mtp -145.91 166.19 26.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.423 HG12 ' HG3' ' A' ' 45' ' ' GLU . 22.6 mt -136.73 134.84 48.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.563 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -115.54 161.27 18.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.955 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 1.0 OUTLIER -129.9 93.49 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.094 179.635 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.266 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.654 0.264 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 87.6 mtp -131.16 119.51 22.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.109 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.509 ' HB3' HD22 ' B' ' 70' ' ' LEU . 29.9 mt-10 -69.19 146.44 52.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.691 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.3 m -123.49 140.22 33.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.296 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.563 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 69.8 Cg_endo -102.08 166.87 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.307 2.671 . . . . 0.0 112.611 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.38 150.37 57.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.09 -43.81 0.68 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.487 2.124 . . . . 0.0 112.932 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.473 ' HA ' HG21 ' B' ' 67' ' ' THR . 37.5 p90 -150.05 158.55 44.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.794 0.331 . . . . 0.0 111.126 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.6 156.98 21.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.754 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.84 -170.92 43.98 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.945 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -128.08 124.86 63.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.7 0.286 . . . . 0.0 110.736 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -74.25 103.08 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -123.52 -6.47 8.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.215 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -163.33 110.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.893 0.378 . . . . 0.0 111.258 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 pp -95.67 172.06 8.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.776 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -128.03 -18.81 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.298 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.1 m -125.45 142.25 42.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.831 0.348 . . . . 0.0 111.604 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -99.66 151.19 21.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.3 t -53.69 126.28 9.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.313 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.36 14.03 39.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.398 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -109.05 115.23 29.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.959 0.409 . . . . 0.0 111.043 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -50.52 156.59 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.341 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 p -120.5 157.52 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -140.7 149.46 42.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.442 HG21 ' HA ' ' B' ' 50' ' ' PHE . 41.5 p -58.48 119.64 7.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.175 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.71 2.9 52.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.588 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 65.1 m -103.41 145.78 29.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.757 0.313 . . . . 0.0 110.78 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.554 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 8.5 mp -81.8 171.56 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.588 HG13 ' H ' ' A' ' 72' ' ' MET . 10.0 pt -132.1 -55.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.476 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.588 ' H ' HG13 ' A' ' 71' ' ' ILE . 66.3 mtt -146.96 174.59 11.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.875 0.369 . . . . 0.0 111.21 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.453 HG12 ' HG2' ' B' ' 45' ' ' GLU . 35.7 mt -130.98 129.74 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -106.13 141.53 37.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.624 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -90.36 93.84 9.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.635 178.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.271 -178.928 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.61 0.243 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 88.2 mtp -122.42 123.42 41.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.485 ' HB3' HD22 ' A' ' 70' ' ' LEU . 35.9 mt-10 -72.48 146.52 46.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 26.8 m -122.9 139.64 31.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.414 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.554 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 91.7 Cg_endo -101.77 169.98 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.201 2.6 . . . . 0.0 112.537 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.47 149.03 48.18 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.42 -43.86 0.91 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.432 2.088 . . . . 0.0 112.65 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.442 ' HA ' HG21 ' A' ' 67' ' ' THR . 39.3 p90 -150.19 161.79 41.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.885 0.374 . . . . 0.0 111.115 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.92 156.46 39.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.28 -163.76 35.37 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.323 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -129.0 132.26 67.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 111.457 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.9 t -79.74 103.72 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.831 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -125.37 -6.15 7.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.359 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -162.68 111.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 111.119 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.71 171.49 8.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -127.5 -18.5 4.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.39 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.69 142.72 41.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.885 0.374 . . . . 0.0 111.493 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -100.15 151.31 21.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.656 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -54.26 126.84 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.68 9.41 49.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -104.45 120.3 40.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.793 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -55.94 156.11 5.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.075 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.81 159.49 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.784 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -143.97 149.61 37.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' THR . . . . . 0.473 HG21 ' HA ' ' A' ' 50' ' ' PHE . 67.3 p -58.5 120.18 8.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.265 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.04 1.21 51.63 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.8 m -102.62 145.51 29.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 8.1 mp -82.12 170.33 15.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.548 HG13 ' H ' ' B' ' 72' ' ' MET . 11.1 pt -131.36 -54.34 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.717 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.548 ' H ' HG13 ' B' ' 71' ' ' ILE . 67.3 mtt -148.26 174.02 12.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.959 0.409 . . . . 0.0 111.091 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.408 HG12 ' HG2' ' A' ' 45' ' ' GLU . 36.3 mt -129.33 136.07 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.359 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -113.44 137.89 50.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.767 0.318 . . . . 0.0 111.188 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -86.83 92.34 8.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.939 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.188 -179.503 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.611 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 80.2 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.756 0.312 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 54.7 ttp -132.55 119.46 20.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' HB2' HD11 ' B' ' 70' ' ' LEU . 11.4 pt-20 -77.98 131.45 37.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.635 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.423 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 27.4 m -110.42 146.98 35.42 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.244 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 60.6 Cg_endo -101.55 165.85 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.28 2.653 . . . . 0.0 112.376 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.24 142.37 89.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.19 -44.53 4.84 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.554 2.17 . . . . 0.0 112.509 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -149.89 151.97 34.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.013 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.76 136.99 57.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.289 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.547 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -166.16 -174.59 35.73 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.112 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.512 HG22 ' HG3' ' B' ' 64' ' ' LYS . 36.9 t -128.63 143.47 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.654 0.264 . . . . 0.0 110.465 179.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.514 HG13 ' H ' ' B' ' 62' ' ' GLY . 94.1 t -71.62 110.64 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -99.39 -41.87 7.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -148.08 132.88 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.148 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.2 tp -85.04 142.38 29.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.973 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -134.01 1.77 3.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.279 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.7 m -139.11 142.78 32.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.928 0.394 . . . . 0.0 111.328 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.532 ' N ' HD21 ' A' ' 60' ' ' ASN . 0.9 OUTLIER -103.12 151.26 22.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.785 179.829 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.2 125.26 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.847 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.559 ' H ' HG13 ' B' ' 54' ' ' VAL . . . 90.35 8.09 66.64 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.125 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -98.37 113.66 25.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 111.114 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HG3' HG22 ' B' ' 53' ' ' VAL . 88.2 tttt -45.21 141.17 2.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.385 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.43 HG21 ' N ' ' A' ' 66' ' ' LYS . 9.5 p -109.52 162.59 7.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.941 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.43 ' N ' HG21 ' A' ' 65' ' ' VAL . 68.7 mttm -143.1 148.41 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.851 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.8 m -62.69 120.59 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.11 -14.36 31.16 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.444 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.1 t -86.34 148.1 25.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.427 HD11 ' HB2' ' B' ' 45' ' ' GLU . 3.6 mm? -75.28 133.6 41.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.797 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.559 HG13 ' H ' ' A' ' 72' ' ' MET . 13.5 pt -108.11 -52.8 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.426 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.559 ' H ' HG13 ' A' ' 71' ' ' ILE . 26.1 mmt -148.65 156.76 42.83 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.408 HD13 ' N ' ' A' ' 73' ' ' ILE . 4.3 mp -131.83 129.65 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.378 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.547 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 23.4 m-85 -121.28 139.31 53.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.536 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.604 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 38.6 tt0 -103.09 92.39 4.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.935 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.375 -179.336 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.604 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 80.7 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.707 0.289 . . . . 0.0 111.364 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 57.3 ttp -129.9 119.97 24.13 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.981 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.427 ' HB2' HD11 ' A' ' 70' ' ' LEU . 10.4 pt-20 -78.17 133.24 37.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.793 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 20.6 m -111.12 145.91 33.44 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.323 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -101.6 166.14 0.33 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.159 2.572 . . . . 0.0 112.275 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.72 142.68 88.73 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.15 -45.43 3.91 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.389 2.06 . . . . 0.0 112.551 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -149.19 156.15 41.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.21 136.99 56.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . 0.552 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . -169.12 -168.91 31.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.525 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.481 HG22 ' HG3' ' A' ' 64' ' ' LYS . 24.2 t -129.7 146.57 33.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 111.467 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.559 HG13 ' H ' ' A' ' 62' ' ' GLY . 70.6 t -71.66 112.68 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -103.11 -39.68 6.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.064 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -149.48 134.18 17.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 57.0 tp -86.9 141.59 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.737 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -133.27 1.99 3.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.29 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 31.5 m -139.11 142.28 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 111.406 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.516 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.9 OUTLIER -103.1 149.64 24.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.763 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 42.2 t -65.38 125.86 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . 0.514 ' H ' HG13 ' A' ' 54' ' ' VAL . . . 91.98 3.1 68.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.077 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.24 121.01 34.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.31 . . . . 0.0 110.79 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.512 ' HG3' HG22 ' A' ' 53' ' ' VAL . 88.1 tttt -52.79 141.99 19.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.061 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.6 p -108.74 162.04 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.07 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -144.16 150.72 38.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.905 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.3 m -64.54 121.03 13.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.78 -14.59 31.97 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.567 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 41.8 t -85.82 148.56 25.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.445 HD11 ' HB2' ' A' ' 45' ' ' GLU . 3.5 mm? -76.2 134.43 39.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.546 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.55 HG13 ' H ' ' B' ' 72' ' ' MET . 14.2 pt -109.12 -52.63 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.484 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.55 ' H ' HG13 ' B' ' 71' ' ' ILE . 25.4 mmt -149.12 155.58 40.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.899 0.38 . . . . 0.0 111.124 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.438 ' N ' HD13 ' B' ' 73' ' ' ILE . 4.2 mp -129.39 133.33 65.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.061 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.552 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 24.2 m-85 -125.09 135.56 52.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.609 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . 0.611 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 33.1 tt0 -99.94 92.65 5.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.31 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.279 -179.795 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.582 ' HB3' ' HG3' ' B' ' 75' ' ' GLU . 82.3 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.518 0.199 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 94.9 mmm -148.29 123.7 10.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.87 0.367 . . . . 0.0 111.312 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.2 150.45 42.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.528 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.434 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 27.3 m -127.49 138.89 33.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.204 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 87.5 Cg_endo -101.84 168.8 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.314 2.676 . . . . 0.0 112.453 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.91 134.1 68.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -68.04 -44.53 3.76 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.318 2.012 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -145.29 142.58 29.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.72 141.63 37.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.579 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.16 -162.12 15.59 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.945 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -134.9 137.14 51.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.743 0.306 . . . . 0.0 110.501 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.69 106.13 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.016 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.93 -56.61 3.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.85 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -155.8 112.34 3.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.447 HD12 HG22 ' B' ' 61' ' ' VAL . 2.1 pt? -57.42 151.7 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -111.34 -22.6 11.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.91 144.27 35.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -97.72 145.99 25.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.437 HG22 HD12 ' B' ' 57' ' ' LEU . 41.1 t -62.33 127.74 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.99 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.28 -4.8 31.53 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.633 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -107.46 117.69 34.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.753 0.311 . . . . 0.0 111.085 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -51.19 153.97 1.8 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.8 p -111.1 161.67 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.204 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -141.68 139.41 32.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.659 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.4 m -58.25 126.19 26.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.7 -15.83 23.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.369 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -96.1 164.09 12.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.401 ' N ' HD11 ' A' ' 70' ' ' LEU . 7.5 mp -89.6 154.56 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.754 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.505 HG13 ' H ' ' A' ' 72' ' ' MET . 16.7 pt -122.76 -51.32 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.28 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.505 ' H ' HG13 ' A' ' 71' ' ' ILE . 72.0 mtm -150.8 163.22 39.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.888 0.375 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.1 mt -136.41 129.13 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.417 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -107.8 161.14 15.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.103 0.477 . . . . 0.0 111.597 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.46 ' HG3' ' HB3' ' B' ' 43' ' ' SER . 34.3 tt0 -135.6 92.28 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.741 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.197 -179.456 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.46 ' HB3' ' HG3' ' A' ' 75' ' ' GLU . 78.2 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.638 0.256 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 95.1 mmm -143.65 128.1 17.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.277 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.94 150.49 34.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.622 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.454 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.8 m -126.75 138.62 32.92 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.436 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 68.6 Cg_endo -101.66 171.6 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.225 2.616 . . . . 0.0 112.179 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.47 134.66 57.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.816 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.87 -42.95 3.9 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.375 2.05 . . . . 0.0 112.558 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -147.0 143.65 28.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.74 140.24 56.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.69 -157.57 10.08 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.651 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.3 t -135.73 139.0 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 111.006 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.2 t -72.47 106.0 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.045 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.75 -58.23 2.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -154.33 113.43 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.717 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.437 HD12 HG22 ' A' ' 61' ' ' VAL . 2.1 pt? -58.17 151.62 18.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -110.8 -23.12 11.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.81 143.45 38.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.195 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -96.74 146.96 24.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.756 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.447 HG22 HD12 ' A' ' 57' ' ' LEU . 44.1 t -63.68 127.64 24.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.062 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.77 -5.09 30.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -106.86 119.08 38.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.755 0.312 . . . . 0.0 110.763 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -52.31 153.92 2.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.07 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 p -109.81 163.07 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.095 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -144.27 139.01 28.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.707 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 28.6 m -57.87 127.3 31.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.84 -14.94 29.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.585 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.4 m -96.81 165.28 12.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.411 HD11 ' N ' ' B' ' 70' ' ' LEU . 7.6 mp -91.52 153.02 20.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.49 HG13 ' H ' ' B' ' 72' ' ' MET . 16.6 pt -121.48 -51.4 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.309 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.49 ' H ' HG13 ' B' ' 71' ' ' ILE . 73.5 mtm -151.17 163.27 39.22 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.008 0.432 . . . . 0.0 111.156 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.8 mt -135.7 133.79 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.182 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -113.36 160.23 18.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.823 0.344 . . . . 0.0 111.241 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . 0.582 ' HG3' ' HB3' ' A' ' 43' ' ' SER . 25.7 tt0 -134.16 92.52 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.001 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 -179.506 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.453 ' HB3' ' HA ' ' B' ' 75' ' ' GLU . 83.1 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.715 0.293 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.7 ttm -156.12 128.08 7.44 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.953 0.406 . . . . 0.0 111.321 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -77.65 120.58 22.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.682 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 34.7 m -87.73 138.9 31.27 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.051 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.51 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 69.5 Cg_endo -101.87 173.64 0.25 Allowed 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.257 2.638 . . . . 0.0 112.443 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.64 129.04 56.43 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.58 -39.94 41.24 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.427 2.085 . . . . 0.0 112.46 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -146.62 148.53 32.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.026 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.37 163.15 8.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.22 -159.8 30.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.308 -0.948 . . . . 0.0 113.017 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.9 t -128.19 127.38 67.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.66 0.267 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.8 t -74.14 110.59 8.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -96.32 -53.71 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -160.55 131.44 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.005 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.417 ' HB3' ' HE3' ' A' ' 72' ' ' MET . 4.2 pp -74.83 -179.93 4.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.878 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -125.64 -20.58 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.811 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.2 m -126.86 140.01 50.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.181 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.55 HD21 ' N ' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -90.99 150.84 21.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.6 t -59.03 121.85 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.23 -16.81 19.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.371 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -91.36 118.51 30.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -52.8 159.47 1.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.406 HG21 ' N ' ' A' ' 66' ' ' LYS . 9.9 p -118.27 159.3 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.406 ' N ' HG21 ' A' ' 65' ' ' VAL . 98.0 mttt -139.66 136.79 34.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.5 m -55.11 125.48 20.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.035 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.13 -15.41 20.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.285 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 65.2 m -97.02 169.22 9.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 110.677 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.528 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 3.4 mm? -95.94 158.67 15.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.7 pt -130.07 -29.27 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.351 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.417 ' HE3' ' HB3' ' A' ' 57' ' ' LEU . 54.0 tpp -159.7 153.63 23.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 73' ' ' ILE . 4.1 mp -131.44 129.34 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.615 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -109.75 148.48 31.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 111.853 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -121.17 92.64 3.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.916 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.373 -179.358 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 80.6 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.621 0.248 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 52.1 ttm -153.8 131.5 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.003 0.43 . . . . 0.0 111.254 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -81.0 121.62 26.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.649 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.5 m -87.89 138.5 31.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.318 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.528 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 63.5 Cg_endo -101.79 175.42 0.23 Allowed 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.301 2.667 . . . . 0.0 112.385 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.88 128.22 56.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.044 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -62.79 -38.68 47.26 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.392 2.061 . . . . 0.0 112.492 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -148.26 150.11 33.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.017 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.74 160.53 27.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.972 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.2 -152.34 14.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.95 132.68 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.9 t -78.52 110.61 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.999 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -96.33 -56.04 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -158.24 133.35 8.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.455 ' HB3' ' HE3' ' B' ' 72' ' ' MET . 4.3 pp -76.7 179.16 6.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.8 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -124.21 -21.86 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.968 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 29.5 m -125.85 139.77 50.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.894 0.378 . . . . 0.0 111.404 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.538 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.9 OUTLIER -90.27 151.02 21.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.769 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 51.5 t -59.33 122.05 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.88 -19.92 15.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.421 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.32 122.34 31.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.778 0.323 . . . . 0.0 110.742 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -56.74 159.95 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.021 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.0 p -117.23 161.75 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -143.21 138.26 29.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 22.3 m -55.93 125.9 23.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.89 -16.82 20.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.321 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 49.3 m -96.01 168.56 10.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 110.844 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.51 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 3.4 mm? -95.8 159.24 15.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 40.3 pt -131.17 -27.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.366 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.455 ' HE3' ' HB3' ' B' ' 57' ' ' LEU . 54.2 tpp -163.25 151.73 14.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.025 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.43 HD12 ' N ' ' B' ' 73' ' ' ILE . 3.9 mp -128.41 136.1 60.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.204 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -117.67 142.86 46.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.832 0.348 . . . . 0.0 111.415 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . 0.453 ' HA ' ' HB3' ' A' ' 43' ' ' SER . 41.4 tt0 -115.46 94.55 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.875 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.811 -178.619 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.688 0.28 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 49.3 tpp -132.47 119.4 20.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.847 0.356 . . . . 0.0 111.099 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.47 ' HG2' HG12 ' B' ' 73' ' ' ILE . 24.3 mt-10 -75.59 151.49 37.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.545 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.7 m -121.05 142.47 34.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.187 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 81.5 Cg_endo -101.68 145.26 0.26 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.232 2.622 . . . . 0.0 112.248 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.79 138.63 97.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.273 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.57 -39.8 8.65 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.435 2.09 . . . . 0.0 112.412 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -147.65 153.66 39.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.463 ' HA ' HG13 ' B' ' 65' ' ' VAL . . . -67.99 156.84 36.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.452 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . 168.69 171.47 34.53 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 120.132 -1.032 . . . . 0.0 113.41 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.0 t -97.87 132.07 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.988 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -74.33 127.9 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.496 ' HD2' ' HB2' ' A' ' 75' ' ' GLU . 57.6 mtpt -103.72 -45.0 4.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.745 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.514 ' HG2' ' H ' ' A' ' 58' ' ' LYS . 34.9 tt0 -144.44 140.19 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.52 HD11 ' N ' ' A' ' 58' ' ' LYS . 2.8 pp -61.89 -33.57 74.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.038 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.561 ' HE3' ' HB2' ' A' ' 70' ' ' LEU . 10.0 tmtt? 74.26 -41.89 0.49 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.686 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.84 149.01 31.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.827 0.346 . . . . 0.0 111.463 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -87.82 151.34 22.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.447 HG22 HD22 ' B' ' 57' ' ' LEU . 21.3 t -56.48 125.02 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.64 19.4 32.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -104.23 111.42 24.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -48.01 158.5 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.359 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.411 HG13 ' HA ' ' B' ' 51' ' ' ALA . 6.7 p -130.35 160.43 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.999 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -143.29 159.27 42.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.842 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.5 p -61.33 116.81 4.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.25 -1.58 35.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.552 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.2 t -98.33 130.96 44.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.737 0.303 . . . . 0.0 110.808 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.561 ' HB2' ' HE3' ' A' ' 58' ' ' LYS . 3.3 mm? -69.56 159.27 33.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.635 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 72' ' ' MET . 27.2 pt -134.12 -41.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.749 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.54 ' HE3' ' HE3' ' B' ' 72' ' ' MET . 62.9 mtt -145.09 158.43 43.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.032 0.444 . . . . 0.0 111.294 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.478 HG12 ' HG2' ' B' ' 45' ' ' GLU . 24.6 mt -132.57 122.43 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.163 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.452 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 82.1 m-85 -109.76 139.31 44.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.95 0.405 . . . . 0.0 111.802 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.496 ' HB2' ' HD2' ' A' ' 55' ' ' LYS . 42.5 tt0 -84.33 92.71 8.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.602 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.349 -179.02 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.619 0.247 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 47.1 tpp -128.64 119.88 25.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.083 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.478 ' HG2' HG12 ' A' ' 73' ' ' ILE . 31.2 mt-10 -75.25 151.8 38.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.595 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.7 m -122.18 141.77 35.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.249 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 79.2 Cg_endo -101.16 147.74 0.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.082 2.521 . . . . 0.0 112.6 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.49 138.55 97.48 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.34 -38.18 9.1 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.373 2.049 . . . . 0.0 112.556 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -149.37 155.0 39.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.969 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.411 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -73.05 151.66 41.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.993 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . 0.442 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . 172.84 176.08 41.19 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.51 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.4 t -98.19 135.69 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.277 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.2 t -76.77 127.69 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.474 ' HD2' ' HB2' ' B' ' 75' ' ' GLU . 57.3 mtpt -104.8 -44.83 4.74 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.542 ' HG2' ' H ' ' B' ' 58' ' ' LYS . 34.3 tt0 -144.59 141.41 29.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.057 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.515 HD11 ' N ' ' B' ' 58' ' ' LYS . 2.3 pp -63.08 -33.33 75.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . 0.559 ' HE3' ' HB2' ' B' ' 70' ' ' LEU . 9.8 tmtt? 74.02 -41.6 0.49 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.471 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.1 m -132.68 149.28 31.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 111.5 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -88.14 151.59 22.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.495 HG22 HD22 ' A' ' 57' ' ' LEU . 21.1 t -57.61 124.3 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.221 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.95 16.15 36.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -101.36 117.16 34.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.7 0.286 . . . . 0.0 110.729 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.41 ' HZ2' ' HE2' ' B' ' 66' ' ' LYS . 22.1 pttp -53.07 160.96 0.9 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.463 HG13 ' HA ' ' A' ' 51' ' ' ALA . 4.4 p -131.68 159.76 42.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.99 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.41 ' HE2' ' HZ2' ' B' ' 64' ' ' LYS . 68.3 mttm -144.66 159.59 42.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.087 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 74.5 p -61.09 117.68 5.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.191 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.28 -2.14 37.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.559 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 41.3 t -98.39 130.47 45.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.827 0.346 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.559 ' HB2' ' HE3' ' B' ' 58' ' ' LYS . 3.3 mm? -69.27 159.37 33.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.586 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 29.1 pt -134.52 -39.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.667 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.54 ' HE3' ' HE3' ' A' ' 72' ' ' MET . 63.0 mtt -147.07 158.19 43.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.015 0.436 . . . . 0.0 111.499 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.47 HG12 ' HG2' ' A' ' 45' ' ' GLU . 17.1 mt -132.01 124.91 53.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.843 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.442 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 66.2 m-85 -112.55 136.34 52.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 111.489 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . 0.474 ' HB2' ' HD2' ' B' ' 55' ' ' LYS . 40.3 tt0 -80.95 92.13 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.879 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.243 -179.579 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.0 ttm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.7 t -122.62 139.76 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? 64.44 117.52 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.076 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -56.1 146.05 24.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -153.2 152.96 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -61.86 158.61 15.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.975 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.2 m -76.01 152.37 84.41 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.186 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.82 148.8 86.83 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.624 2.216 . . . . 0.0 112.374 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -62.71 -36.07 81.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.744 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.2 pt -129.36 147.71 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.9 p -150.99 -18.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.47 156.46 13.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.074 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.0 m -125.19 165.37 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.7 t -140.65 157.52 45.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.81 6.86 5.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.808 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.7 t -70.0 -58.77 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.198 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 94.0 mmm 58.17 -171.15 0.11 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.6 m -82.73 164.9 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.007 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -123.41 7.06 8.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.777 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -87.93 -31.71 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.29 8.63 77.3 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.657 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.5 148.1 49.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 111.154 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -139.65 128.3 23.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.75 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 m -134.07 -20.23 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.284 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.99 102.47 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -170.21 149.92 3.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 57.63 -160.94 0.23 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.988 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 62.59 19.44 11.29 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.169 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.7 p -156.49 -75.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.088 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp 61.32 162.96 0.07 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.131 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.2 mt 58.99 101.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.46 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.9 p -121.36 177.24 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.032 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.9 t -107.44 -79.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -139.29 -71.56 0.4 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 156.64 169.48 20.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.577 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -161.74 153.08 18.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.733 0.302 . . . . 0.0 110.767 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -55.47 -84.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -164.19 -98.59 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 120.758 0.313 . . . . 0.0 110.896 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.53 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 84.4 p -58.8 133.01 55.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.82 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.3 ttp -152.46 120.43 6.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.88 0.372 . . . . 0.0 111.174 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.526 ' HB3' HD22 ' B' ' 70' ' ' LEU . 26.3 mt-10 -68.81 152.01 45.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.834 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.54 143.45 48.38 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.185 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.483 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 65.7 Cg_endo -101.93 165.32 0.32 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.22 2.613 . . . . 0.0 112.491 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.03 143.46 61.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.071 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.74 -43.1 2.87 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.518 2.145 . . . . 0.0 112.566 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -149.37 158.41 44.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.0 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.86 140.25 57.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.409 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.02 -165.97 23.21 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.059 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 61.8 t -134.28 131.45 55.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.727 0.299 . . . . 0.0 110.465 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' B' ' 61' ' ' VAL . 90.6 t -71.49 100.64 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.812 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -93.13 -40.51 10.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -149.71 127.02 11.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.899 0.38 . . . . 0.0 111.319 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.4 tp -83.34 150.17 26.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.58 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -113.96 -37.05 4.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.468 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.7 m -118.4 139.95 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.898 0.38 . . . . 0.0 111.306 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.548 ' N ' HD21 ' A' ' 60' ' ' ASN . 0.9 OUTLIER -100.88 151.51 21.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.025 -179.829 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.457 ' HA ' HG13 ' B' ' 54' ' ' VAL . 60.8 t -52.34 135.12 13.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.057 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.54 -11.42 61.33 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.351 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -95.99 106.61 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.734 0.302 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' B' ' 53' ' ' VAL . 19.2 ptpt -51.92 151.71 3.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 p -109.17 163.03 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.938 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -138.28 147.82 44.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.874 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.3 m -66.74 122.92 18.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.092 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.41 -15.53 22.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.615 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.0 p -96.1 175.66 6.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.51 HD22 ' HB3' ' B' ' 45' ' ' GLU . 5.0 mp -100.63 168.76 9.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.645 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.47 HG13 ' H ' ' A' ' 72' ' ' MET . 12.8 pt -133.3 -50.35 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.673 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.47 ' H ' HG13 ' A' ' 71' ' ' ILE . 72.9 mtm -148.35 168.68 21.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.834 0.35 . . . . 0.0 111.041 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.1 mt -135.49 129.31 49.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -109.27 161.07 15.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.368 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.512 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 1.0 OUTLIER -133.56 92.58 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.008 179.243 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 p -90.28 120.71 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.231 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -126.65 97.84 5.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.56 -129.42 46.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.574 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.17 146.85 30.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 111.074 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.07 146.92 98.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 110.94 2.69 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.325 2.016 . . . . 0.0 112.301 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.03 111.92 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.4 -55.85 0.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.562 ' HB1' ' HD3' ' A' ' 85' ' ' PRO . . . -167.29 -50.28 0.0 OUTLIER Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.755 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.562 ' HD3' ' HB1' ' A' ' 84' ' ' ALA . 54.5 Cg_exo -52.57 134.74 53.9 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.125 1.883 . . . . 0.0 112.421 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -148.17 -41.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.267 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -137.28 112.42 9.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.995 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -160.12 169.67 22.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.914 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.5 mtt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.9 m -99.08 4.35 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -75.16 159.31 31.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -71.1 -11.54 61.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.5 t -107.73 114.95 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -147.34 143.92 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' B' ' 8' ' ' PRO . 35.6 m -100.27 144.81 29.13 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.07 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 7' ' ' VAL . 14.1 Cg_exo -69.45 163.4 38.17 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.64 2.227 . . . . 0.0 112.377 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -123.82 -35.25 2.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.545 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.536 HG21 HG13 ' B' ' 15' ' ' VAL . 15.9 tt -166.38 -24.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.533 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.562 HG22 ' H ' ' B' ' 17' ' ' VAL . 7.1 p -159.43 126.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.809 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -89.87 -1.18 57.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.987 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.562 ' H ' HG22 ' B' ' 15' ' ' VAL . 50.9 t 60.95 95.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.362 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 80.5 m -156.93 101.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.713 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 59.87 15.43 4.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.808 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -85.0 139.39 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.117 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 25.9 ttt -165.36 -40.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.7 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 15.0 p -111.83 -28.76 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt 56.54 94.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 t -96.08 -78.45 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.311 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.12 -139.58 47.78 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.355 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -112.17 120.72 42.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.639 ' HB3' ' HZ1' ' B' ' 27' ' ' LYS . 7.7 ttpm? -152.65 105.37 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 59.9 t -81.65 -72.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 60.98 173.54 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.408 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.55 138.19 58.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.64 137.0 45.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -120.15 -5.6 9.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.067 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 78.8 p -97.44 156.89 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.003 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.43 ' N ' HD12 ' B' ' 34' ' ' LEU . 6.7 mp -77.51 -22.55 51.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.685 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 43.2 mt 61.03 92.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.576 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 27.9 m 52.82 -91.67 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.803 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 27.4 m -92.38 -176.3 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.859 0.362 . . . . 0.0 111.299 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.32 154.01 41.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.058 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -103.22 -69.39 0.81 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.406 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -145.18 119.76 9.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.736 0.303 . . . . 0.0 110.812 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -170.12 89.94 0.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.752 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.61 -92.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 79.2 p -68.15 127.4 32.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 57.4 ttp -143.11 124.99 15.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.51 ' HB3' HD22 ' A' ' 70' ' ' LEU . 32.3 mt-10 -71.89 152.34 42.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.642 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 34.8 m -128.67 142.54 45.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.378 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.488 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 93.6 Cg_endo -101.35 168.18 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.253 2.635 . . . . 0.0 112.416 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.32 142.96 51.24 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.41 -43.9 2.65 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.324 2.016 . . . . 0.0 112.382 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -148.74 161.23 42.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.35 137.72 44.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -164.66 -161.21 13.22 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 57.0 t -134.38 133.76 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.729 0.299 . . . . 0.0 111.043 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.457 HG13 ' HA ' ' A' ' 61' ' ' VAL . 95.7 t -72.01 101.24 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.819 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -94.23 -39.0 10.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.389 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -151.61 126.53 9.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 111.3 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 57.4 tp -82.61 151.31 26.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.526 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' B' ' 70' ' ' LEU . 64.2 tttp -115.22 -36.68 4.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.435 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.4 m -118.64 139.5 45.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.859 0.361 . . . . 0.0 111.266 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.524 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.9 OUTLIER -100.45 151.48 21.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.015 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.491 ' HA ' HG13 ' A' ' 54' ' ' VAL . 62.1 t -52.82 136.34 13.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.016 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.2 -13.99 61.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.205 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.98 110.45 22.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.311 . . . . 0.0 110.673 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 19.1 ptpt -55.55 152.78 8.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.269 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -108.31 166.07 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.799 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -142.87 147.99 36.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.954 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.3 m -67.03 122.96 18.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.89 -18.21 19.49 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.468 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 91.6 p -93.89 174.92 6.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.99 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 45' ' ' GLU . 4.9 mp -100.66 168.85 9.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.553 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.481 HG13 ' H ' ' B' ' 72' ' ' MET . 13.7 pt -133.37 -50.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.644 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.481 ' H ' HG13 ' B' ' 71' ' ' ILE . 73.4 mtm -148.52 168.31 23.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.931 0.396 . . . . 0.0 111.154 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 27.2 mt -134.3 135.03 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.34 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 43' ' ' SER . 56.9 m-85 -116.63 158.16 24.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.796 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 1.1 tm-20 -129.51 94.8 3.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.244 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p -90.96 118.17 35.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.402 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -124.61 104.69 8.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.721 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -103.04 -13.53 28.9 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.752 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.69 138.29 33.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.06 152.27 84.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.96 128.36 13.95 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.345 2.03 . . . . 0.0 112.301 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.68 110.43 10.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.974 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.77 -83.77 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.297 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . 56.22 85.91 0.18 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -57.64 153.98 39.44 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.552 2.168 . . . . 0.0 112.334 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.71 169.67 9.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.172 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -119.39 128.17 53.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -145.02 -33.2 0.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.864 179.831 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p -164.8 -27.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -66.19 120.49 13.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -126.66 -55.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.757 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.9 m -105.12 154.45 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.189 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -101.6 -0.2 35.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.754 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.11 129.89 28.52 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.74 154.16 59.15 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.354 2.036 . . . . 0.0 112.439 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -155.38 156.16 34.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.436 HG21 HG12 ' A' ' 15' ' ' VAL . 61.2 mt -97.88 -48.29 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.046 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.436 HG12 HG21 ' A' ' 10' ' ' ILE . 29.4 m -138.26 149.75 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.264 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -115.0 105.59 13.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.3 m -88.53 174.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.163 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.7 p -134.9 -1.92 2.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 59.45 19.14 7.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.367 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.9 m -69.58 -179.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.5 ptp -85.95 -4.58 59.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.065 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.9 t 60.88 100.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -64.89 167.82 7.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.0 -33.0 34.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.192 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.27 42.13 43.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.527 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -90.44 111.88 23.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -141.51 -26.88 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.03 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.6 t -79.95 95.69 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -167.89 167.92 12.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.37 -63.7 1.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.025 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -106.76 164.41 12.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.582 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' NE2' ' H ' ' A' ' 32' ' ' GLN . 1.9 mp0 -79.77 -76.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.953 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.9 m 56.96 95.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.77 9.11 31.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.1 tt -101.49 -29.88 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.4 p -83.58 -38.05 22.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.8 t -115.2 99.15 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -85.76 -39.91 16.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 160.42 -90.91 0.11 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.555 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -77.37 149.34 35.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 111.062 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -105.05 -172.06 2.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.771 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -159.64 147.59 17.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.3 p -138.55 146.62 42.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.754 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.4 tpp -125.5 119.81 29.2 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.825 0.345 . . . . 0.0 111.345 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.545 ' HG2' HG12 ' B' ' 73' ' ' ILE . 30.5 mt-10 -78.12 146.62 35.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.592 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.19 142.25 44.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -101.83 151.64 0.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.156 2.571 . . . . 0.0 112.493 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.54 145.97 94.34 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.43 -44.34 0.8 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.507 2.138 . . . . 0.0 112.616 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -148.7 161.03 42.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.184 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 149.7 44.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.74 173.39 46.22 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.819 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.3 t -115.98 127.24 73.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.677 0.275 . . . . 0.0 110.301 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.422 HG13 ' HA ' ' B' ' 61' ' ' VAL . 98.7 t -71.62 106.41 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.986 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -104.12 -32.67 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.702 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -157.29 124.02 5.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.528 ' HB2' HG23 ' B' ' 61' ' ' VAL . 33.1 tp -82.77 149.73 27.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.583 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -98.12 -47.18 5.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.198 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.56 139.74 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.944 0.402 . . . . 0.0 111.446 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -106.36 151.73 24.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.732 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.535 HG23 ' HB2' ' B' ' 57' ' ' LEU . 33.2 t -45.93 127.37 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.16 13.89 21.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -123.69 105.95 10.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.253 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -50.32 142.43 10.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.946 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 p -109.95 152.32 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.289 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -137.88 141.35 40.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.494 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 m -52.96 120.88 6.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.264 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.26 -13.37 21.36 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.731 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.2 p -93.81 164.6 13.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.77 0.319 . . . . 0.0 110.795 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.2 mt -86.76 165.0 16.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 72' ' ' MET . 24.6 pt -132.3 -44.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.545 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.456 ' N ' HG13 ' A' ' 71' ' ' ILE . 8.8 ptm -167.44 160.74 13.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.653 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.565 HG12 ' HG2' ' B' ' 45' ' ' GLU . 3.9 mp -131.28 135.65 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.411 ' CZ ' HG12 ' B' ' 65' ' ' VAL . 29.9 m-85 -111.39 160.94 16.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.994 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -94.99 93.13 7.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p -105.38 117.28 50.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -69.73 107.87 3.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.806 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.81 -112.87 0.55 Allowed Glycine 0 C--N 1.329 0.192 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.18 131.27 44.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.874 0.368 . . . . 0.0 111.138 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.83 148.04 37.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.36 -172.23 0.73 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.356 2.037 . . . . 0.0 112.343 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -106.81 106.42 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.23 158.52 36.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.207 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.65 151.15 37.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.42 162.35 14.93 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.619 2.213 . . . . 0.0 112.279 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 58.61 -171.45 0.11 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.232 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 4.0 mptp? 58.24 -171.77 0.1 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -111.33 -54.06 2.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.84 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.9 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mtp . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.754 0.311 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.1 m -140.7 -29.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.233 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -77.61 -72.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.033 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.2 154.56 30.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.845 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.464 HG22 ' H ' ' B' ' 7' ' ' VAL . 9.7 p -147.73 138.46 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.003 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -93.48 -20.8 19.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.781 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.464 ' H ' HG22 ' B' ' 5' ' ' VAL . 61.1 t -64.27 129.63 94.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.73 149.37 77.6 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.432 2.088 . . . . 0.0 112.307 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -100.65 118.44 36.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.5 HG22 HG21 ' B' ' 15' ' ' VAL . 60.8 mt 62.7 112.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.241 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.5 HG21 HG22 ' B' ' 10' ' ' ILE . 46.8 t 65.66 133.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.172 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -161.27 -0.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.164 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.437 HG11 HG23 ' B' ' 18' ' ' THR . 5.5 p -92.27 -44.89 14.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.244 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.437 HG23 HG11 ' B' ' 17' ' ' VAL . 3.3 t -171.85 -49.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.321 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.402 ' N ' HG22 ' B' ' 18' ' ' THR . 40.5 tt0 -172.72 -62.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.689 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -159.77 143.6 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 27.9 ttt -139.74 111.22 7.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.4 137.11 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -167.37 -25.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 p -130.61 145.47 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.88 68.47 0.14 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.454 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -101.38 159.31 15.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 111.005 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -65.54 -51.62 58.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 52.8 t -81.16 108.86 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.141 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.15 -34.26 63.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.012 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.22 95.12 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.425 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -117.31 174.64 6.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -102.46 110.17 22.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.74 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 78.5 p -98.69 9.17 43.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.2 mt -84.56 118.24 24.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.735 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.453 HG13 HG22 ' B' ' 36' ' ' THR . 46.8 pt -89.48 0.49 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.31 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' THR . . . . . 0.453 HG22 HG13 ' B' ' 35' ' ' ILE . 67.3 p -124.29 157.39 35.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.338 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 35.4 m -110.5 164.02 6.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.06 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 60.04 99.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.057 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.0 -155.84 8.71 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -105.69 142.97 34.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -159.44 33.91 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.737 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -165.1 131.68 2.86 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.1 p -132.34 142.17 49.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.982 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 54.4 tpp -118.33 123.13 44.57 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.565 ' HG2' HG12 ' A' ' 73' ' ' ILE . 33.3 mt-10 -80.7 147.68 30.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.579 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 24.6 m -130.53 141.67 42.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.368 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 66.1 Cg_endo -101.59 153.14 0.35 Allowed 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.281 2.654 . . . . 0.0 112.5 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.55 146.34 96.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.23 -43.21 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.43 2.087 . . . . 0.0 112.532 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -149.64 165.17 33.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.33 151.17 42.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.326 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.35 -179.07 48.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.26 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 41.6 t -116.97 133.65 63.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.938 0.399 . . . . 0.0 111.37 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.425 HG13 ' HA ' ' A' ' 61' ' ' VAL . 78.2 t -74.87 106.68 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -104.44 -33.8 8.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -156.26 125.87 6.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.073 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.535 ' HB2' HG23 ' A' ' 61' ' ' VAL . 31.7 tp -84.41 149.45 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.571 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -97.93 -47.27 5.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.284 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.54 139.76 44.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.907 0.384 . . . . 0.0 111.525 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -106.77 151.86 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.714 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.528 HG23 ' HB2' ' A' ' 57' ' ' LEU . 38.8 t -46.51 126.33 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.33 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.05 11.94 23.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.302 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -122.03 110.73 16.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -55.29 143.05 29.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.411 HG12 ' CZ ' ' A' ' 74' ' ' PHE . 8.5 p -109.05 153.81 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.306 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -140.29 143.01 35.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.54 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 8.6 m -54.45 119.99 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.405 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.24 -12.27 21.78 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.656 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 90.7 p -94.91 163.36 13.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.731 0.3 . . . . 0.0 110.821 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 70.8 mt -86.4 164.89 16.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.44 HG13 ' N ' ' B' ' 72' ' ' MET . 23.9 pt -132.12 -43.52 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.318 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.44 ' N ' HG13 ' B' ' 71' ' ' ILE . 8.9 ptm -168.59 161.98 11.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.787 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.545 HG12 ' HG2' ' A' ' 45' ' ' GLU . 3.7 mp -131.33 139.35 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.73 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -115.23 157.26 23.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.637 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -92.26 91.76 7.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 p -102.76 118.64 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.076 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.06 127.08 31.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -155.52 -177.37 28.7 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.394 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.68 140.76 51.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.83 0.348 . . . . 0.0 111.249 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.82 141.15 86.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.98 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.55 114.85 4.06 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.332 2.022 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.04 -68.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.997 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 59.04 16.01 4.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.405 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -164.85 149.5 8.11 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.201 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -79.89 177.2 8.61 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.594 2.196 . . . . 0.0 112.456 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -159.98 -61.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.023 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt 59.22 98.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.239 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -122.51 -29.86 4.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.753 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.909 179.852 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.0 m -139.35 157.18 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.066 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -72.97 154.57 40.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.724 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 59.67 98.12 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.007 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -163.12 -10.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -63.47 -12.7 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.8 t -62.78 132.02 94.59 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.7 161.17 22.12 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.411 2.074 . . . . 0.0 112.297 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -104.71 121.32 43.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.34 4.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.7 m -63.94 169.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.208 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.74 120.18 12.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.4 m -88.03 148.07 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.8 p -106.65 130.87 54.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.328 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -161.37 124.78 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.771 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.475 HG21 ' HG2' ' A' ' 21' ' ' MET . 14.0 p -167.57 154.44 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.158 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.475 ' HG2' HG21 ' A' ' 20' ' ' VAL . 89.6 mmm 61.72 16.57 7.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.9 t -133.14 117.5 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.97 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt 59.07 94.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.3 m -126.14 -14.26 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.072 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.46 0.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.616 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.16 108.6 10.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.734 0.302 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -104.09 13.5 32.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.7 t 63.45 -82.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.279 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.9 112.92 20.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 111.328 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.8 156.97 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.821 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -150.82 107.69 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.067 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -132.54 -61.9 0.84 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.79 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.2 p -85.28 169.14 14.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.807 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.1 mt -115.96 144.74 43.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.979 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.465 HD13 ' N ' ' A' ' 35' ' ' ILE . 3.7 mp -86.11 123.89 39.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.8 p -65.08 128.95 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.05 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.6 m -73.74 167.12 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.007 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.78 24.09 1.84 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.035 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.81 129.09 47.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.407 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -132.67 152.75 51.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 111.222 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 63.93 -78.68 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.448 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.516 ' O ' ' HA ' ' B' ' 75' ' ' GLU . . . 68.33 3.71 3.86 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.774 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.2 t -143.7 134.59 25.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.755 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.4 tpt -135.96 118.62 16.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.062 0.458 . . . . 0.0 110.923 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' HG2' HD13 ' B' ' 73' ' ' ILE . 31.6 mt-10 -80.51 149.47 30.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.895 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 34.4 m -132.28 136.57 28.3 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.004 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 69.1 Cg_endo -101.81 148.23 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.143 2.562 . . . . 0.0 112.527 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.83 139.74 86.52 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.95 -41.27 5.53 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.416 2.077 . . . . 0.0 112.556 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -150.39 154.34 37.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.108 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.401 ' HA ' HG13 ' B' ' 65' ' ' VAL . . . -65.98 157.24 31.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.391 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.535 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . 170.24 168.17 31.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 119.998 -1.096 . . . . 0.0 113.381 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.0 t -97.72 139.01 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.732 0.301 . . . . 0.0 110.981 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -71.81 114.56 10.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.897 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -82.76 -52.04 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.527 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -166.52 142.78 4.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.8 tp -74.2 146.56 43.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.128 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -116.0 -34.5 4.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.8 m -118.7 139.87 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.942 0.401 . . . . 0.0 111.509 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.53 ' N ' HD21 ' A' ' 60' ' ' ASN . 0.9 OUTLIER -91.53 150.8 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.781 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.6 t -60.84 128.84 22.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.28 1.18 47.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -106.41 117.43 34.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.816 0.341 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -51.46 167.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.438 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 p -127.44 160.47 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.925 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -142.25 149.96 40.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p -58.26 121.26 10.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.6 -9.68 30.33 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.653 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.5 t -97.91 132.68 43.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 111.037 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.1 mt -72.17 163.85 27.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.564 HG13 ' H ' ' A' ' 72' ' ' MET . 10.4 pt -126.2 -55.99 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.448 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.564 ' H ' HG13 ' A' ' 71' ' ' ILE . 67.1 mtt -149.14 146.05 27.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.753 0.311 . . . . 0.0 110.726 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.494 HD13 ' HG2' ' B' ' 45' ' ' GLU . 6.9 mm -111.72 130.75 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.647 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.535 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 73.3 m-85 -106.2 157.78 17.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.138 0.494 . . . . 0.0 111.917 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' B' ' 42' ' ' ALA . 35.7 tt0 -106.46 108.57 20.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.364 178.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' B' ' 42' ' ' ALA . 3.4 p -121.14 118.67 56.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.024 0.44 . . . . 0.0 111.463 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -100.23 121.3 41.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.65 48.86 0.12 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.646 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -121.39 153.81 37.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . . . -89.98 141.86 28.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 38.7 Cg_exo -60.98 145.42 99.14 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.446 2.097 . . . . 0.0 112.234 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.19 -51.59 0.18 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.76 149.51 25.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.96 152.11 84.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.027 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.3 174.63 10.5 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.454 2.102 . . . . 0.0 112.278 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.8 -172.43 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.8 OUTLIER -80.6 156.88 26.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.765 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -64.37 151.81 43.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.81 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.925 179.909 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.9 ttp . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.759 0.314 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.3 m -85.14 162.65 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 164.34 26.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -112.69 -49.62 2.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.675 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 27.1 m -88.16 165.23 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.203 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . 0.568 ' H ' HD21 ' B' ' 6' ' ' ASN . 0.1 OUTLIER -88.81 155.44 19.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.086 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 30.2 m -138.15 154.29 73.93 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.15 162.0 31.52 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.402 2.068 . . . . 0.0 112.335 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -160.09 -0.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 46.9 mm -89.65 143.18 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 40.6 t -63.24 129.83 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -110.55 -43.67 3.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.007 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.57 141.77 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 77.3 p -116.7 -179.65 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -86.47 132.41 33.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.781 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 p -136.78 -31.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 24.1 mmt -88.86 141.32 28.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.9 t 64.12 114.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.553 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -127.84 145.89 50.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.831 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 56.7 t -92.23 -65.19 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.43 170.19 17.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -136.35 129.09 30.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.964 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -103.25 161.13 14.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -119.81 -70.44 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.857 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 53.76 90.06 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.323 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.11 -65.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.03 -66.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -108.46 126.33 52.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 66.5 m -146.19 -49.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.802 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.424 ' N ' HD21 ' B' ' 34' ' ' LEU . 2.5 pt? -163.69 139.68 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 40.2 pt -126.43 -3.01 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 38.5 m -114.77 125.36 53.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 27.4 m -109.15 170.58 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.73 -179.09 5.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.773 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.72 -133.03 7.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.723 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -124.41 114.01 18.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.849 0.357 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -164.46 -28.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 76' ' ' VAL . . . -93.4 -7.77 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.522 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 41.5 t -135.74 128.64 31.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.062 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 16.9 tpt -127.17 121.45 31.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.494 ' HG2' HD13 ' A' ' 73' ' ' ILE . 34.1 mt-10 -83.72 147.22 27.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.731 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.432 HG21 ' O ' ' A' ' 72' ' ' MET . 33.8 m -128.58 135.77 28.1 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.312 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 64.9 Cg_endo -101.66 150.49 0.32 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.219 2.613 . . . . 0.0 112.402 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.61 139.01 92.96 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.96 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -68.72 -41.65 5.65 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.285 1.99 . . . . 0.0 112.444 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -150.26 158.53 44.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.05 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.22 153.74 39.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.466 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . 171.87 173.7 38.87 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.498 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 25.1 t -98.23 143.27 13.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.963 0.411 . . . . 0.0 111.488 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 52.7 t -74.87 114.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.012 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -83.21 -52.15 6.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -165.48 147.26 7.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 56.3 tp -78.87 145.51 34.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.049 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -114.97 -34.61 5.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 31.1 m -118.83 139.97 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.443 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.538 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.9 OUTLIER -91.97 151.0 20.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 41.4 t -61.27 129.27 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.011 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.6 -3.32 42.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.544 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -102.56 123.26 45.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.707 0.289 . . . . 0.0 110.803 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -56.92 170.07 0.46 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.295 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.401 HG13 ' HA ' ' A' ' 51' ' ' ALA . 4.3 p -128.32 161.28 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.027 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -144.6 150.76 37.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.021 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 68.5 p -59.24 121.35 11.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.311 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.13 -9.16 31.35 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.492 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 39.1 t -98.36 131.87 44.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 67.5 mt -72.13 164.23 26.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.546 HG13 ' H ' ' B' ' 72' ' ' MET . 10.2 pt -127.01 -55.34 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.602 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.546 ' H ' HG13 ' B' ' 71' ' ' ILE . 66.3 mtt -150.25 144.6 25.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.041 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.491 HD13 ' HG2' ' A' ' 45' ' ' GLU . 4.4 mm -110.22 136.48 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.225 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.466 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 68.5 m-85 -112.66 155.67 24.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 111.453 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . 0.516 ' HA ' ' O ' ' A' ' 42' ' ' ALA . 23.9 tt0 -104.32 100.16 9.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.333 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.98 118.92 58.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.36 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -99.31 124.44 44.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.56 128.2 0.5 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.611 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.3 148.11 33.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.07 145.94 37.36 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.16 119.54 6.08 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.428 2.086 . . . . 0.0 112.508 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . 57.33 -171.25 0.09 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.348 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.37 -48.29 6.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.32 149.49 36.78 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.49 117.78 5.29 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.466 2.111 . . . . 0.0 112.308 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . 61.85 9.2 2.81 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.681 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 21.1 pttp 35.59 84.91 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.457 0.473 . . . . 0.0 111.945 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -69.42 108.63 3.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.858 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.506 ' HE2' ' HD2' ' A' ' 3' ' ' LYS . 20.3 ptt? . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.892 0.377 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.78 -34.95 58.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.275 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.506 ' HD2' ' HE2' ' A' ' 1' ' ' MET . 48.7 mtpt 59.56 -170.3 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -102.47 4.55 38.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.7 t -71.03 -23.57 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.062 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 59.44 -177.61 0.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.07 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.74 123.13 86.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -58.37 129.0 30.61 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.321 2.014 . . . . 0.0 111.97 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -116.61 -30.54 5.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.3 mm 61.83 -85.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.179 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.9 t 57.07 96.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.954 0.406 . . . . 0.0 111.169 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -153.91 -69.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.998 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.6 t -99.54 138.76 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.408 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -97.46 153.04 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.962 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.67 172.3 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.199 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.8 t -114.82 115.47 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.5 ttt -84.4 134.69 34.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.97 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.3 m -69.39 173.57 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.593 ' HZ1' ' HB3' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -119.52 150.7 39.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.025 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.3 m -96.51 162.17 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.246 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.65 -101.63 2.7 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.423 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -101.48 121.99 42.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.341 . . . . 0.0 110.831 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -85.65 -75.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.9 m -144.51 -37.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.989 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -168.63 119.47 0.76 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.12 -54.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.332 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -99.47 136.27 39.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.061 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -153.43 137.79 16.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.4 p -149.88 174.72 12.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 tp -83.51 132.34 34.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.811 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.2 tt -76.24 145.1 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.96 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.3 p -126.37 115.04 19.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.6 m -133.85 177.13 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.128 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.58 174.99 11.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.003 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.22 135.04 0.55 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.703 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -98.95 132.99 43.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.946 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -133.87 -9.93 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.742 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.53 -87.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.997 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 79.6 p -58.3 124.88 20.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.0 tpp -146.4 119.83 9.04 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.6 156.72 37.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.17 150.51 76.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 66.1 Cg_endo -101.69 165.54 0.33 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.313 2.675 . . . . 0.0 112.38 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.39 145.53 59.78 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.847 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.71 -51.81 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.4 2.067 . . . . 0.0 112.567 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -145.06 151.96 39.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.07 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.54 143.3 41.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.56 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -168.53 -167.93 29.87 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.305 -0.95 . . . . 0.0 113.227 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.46 HG12 ' HG2' ' B' ' 64' ' ' LYS . 59.8 t -134.8 128.23 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.714 0.292 . . . . 0.0 110.733 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.3 t -71.74 101.99 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.067 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -123.4 -33.03 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.01 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' HB2' ' HB ' ' A' ' 73' ' ' ILE . 16.1 mm-40 -117.09 92.98 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.214 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.407 HD22 ' ND2' ' A' ' 60' ' ' ASN . 6.3 tt -69.36 142.06 54.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.802 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 70' ' ' LEU . 3.5 tmtp? -113.87 -46.09 3.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.723 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 t -118.69 164.73 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.407 ' ND2' HD22 ' A' ' 57' ' ' LEU . 4.7 m120 -109.5 151.12 27.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.752 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.4 t -63.33 127.9 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.098 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.43 3.81 53.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.437 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -104.7 123.43 47.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.063 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.48 ' HG2' HG12 ' B' ' 53' ' ' VAL . 96.3 mttt -51.45 151.3 3.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.18 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 p -114.3 157.56 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -140.47 133.87 29.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.663 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.6 m -52.23 134.04 33.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.43 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.62 -18.27 50.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.558 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.0 m -95.53 153.93 17.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.77 0.319 . . . . 0.0 110.79 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 76.5 mt -80.38 158.84 25.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.533 HG13 ' H ' ' A' ' 72' ' ' MET . 12.6 pt -117.68 -52.67 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.533 ' H ' HG13 ' A' ' 71' ' ' ILE . 62.9 mtt -150.25 166.42 29.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.421 ' HB ' ' HB2' ' A' ' 56' ' ' GLU . 39.1 mt -128.36 130.58 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.743 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.56 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 49.8 m-85 -113.02 151.12 31.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.986 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 34.5 tt0 -119.57 92.23 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.916 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 p -84.75 117.44 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.597 ' HG3' ' H ' ' A' ' 79' ' ' ALA . 11.1 tp10 -88.94 131.95 34.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.552 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.17 -10.42 85.35 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.726 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.597 ' H ' ' HG3' ' A' ' 77' ' ' GLU . . . -60.41 143.45 53.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.69 137.61 77.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.1 -64.12 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.631 2.22 . . . . 0.0 112.1 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 64.12 -81.05 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.574 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.93 -10.98 54.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.39 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 54.41 84.95 0.2 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.222 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.83 154.63 48.64 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.41 2.073 . . . . 0.0 112.359 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -145.39 -50.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.821 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -102.18 102.67 13.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -139.04 4.66 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.017 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.822 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptt? . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.862 0.363 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -145.78 131.19 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.997 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -142.47 -46.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.99 116.93 15.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.685 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 13.1 p -104.16 145.26 13.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.28 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -142.11 107.44 5.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.694 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.3 p -128.65 130.35 23.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.78 129.73 34.93 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.406 2.07 . . . . 0.0 112.098 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -157.97 -54.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.038 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 52.2 mt -98.27 132.37 43.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.17 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 t -83.71 -29.08 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.745 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.29 160.56 26.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.71 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 m -81.55 77.01 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.152 0.501 . . . . 0.0 111.24 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 80.2 p -128.27 156.72 42.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.139 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -106.6 -55.58 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 47.5 t 63.44 116.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.512 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 26.3 ttt -138.39 112.86 8.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.6 t -109.66 135.28 49.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -159.58 -25.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.727 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 41.5 t -80.95 138.79 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.33 -131.44 3.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -116.71 177.24 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.392 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -98.11 178.0 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.756 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 15.8 m -66.04 163.61 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -140.2 13.83 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.486 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.51 112.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.922 0.391 . . . . 0.0 111.205 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -56.12 -74.54 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.153 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.431 ' H ' ' CD ' ' B' ' 32' ' ' GLN . 4.4 pm0 -64.99 124.79 22.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -169.23 102.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 71.2 mt 56.92 97.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.297 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 7.9 tp -140.16 -24.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 88.1 m -77.78 117.53 19.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 27.5 m -94.65 153.07 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -96.26 151.43 19.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.7 -102.02 2.04 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.433 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -147.0 116.41 7.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.999 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -162.96 85.22 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.801 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -171.24 -79.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.052 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 84.7 p -62.66 124.0 19.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.25 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 52.2 tpp -140.85 121.82 14.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.054 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.53 156.87 34.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.754 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.28 150.82 77.04 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.416 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 69.5 Cg_endo -101.74 167.97 0.31 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.323 2.682 . . . . 0.0 112.428 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.13 144.75 51.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -68.68 -49.88 0.72 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.32 2.013 . . . . 0.0 112.705 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -147.27 153.23 39.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.86 142.23 57.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.578 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . -170.18 -164.39 25.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.676 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.48 HG12 ' HG2' ' A' ' 64' ' ' LYS . 60.1 t -133.71 134.03 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.34 . . . . 0.0 111.1 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 69.6 t -75.41 101.79 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -123.13 -34.16 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.975 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.408 ' HB2' ' HB ' ' B' ' 73' ' ' ILE . 14.7 mm-40 -116.11 95.67 5.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.229 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.405 HD22 ' ND2' ' B' ' 60' ' ' ASN . 6.0 tt -71.35 143.19 50.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . 0.424 ' NZ ' ' HB2' ' B' ' 70' ' ' LEU . 3.6 tmtp? -115.58 -46.25 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.777 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -118.44 162.67 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.405 ' ND2' HD22 ' B' ' 57' ' ' LEU . 4.6 m120 -107.94 151.23 26.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.25 126.99 22.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.24 1.02 47.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.578 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.09 128.06 48.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.984 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.46 ' HG2' HG12 ' A' ' 53' ' ' VAL . 96.2 mttt -56.21 150.61 13.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.1 p -112.02 160.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -143.87 135.37 25.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.885 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.3 m -53.56 132.88 41.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.359 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.91 -19.83 42.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 51.1 m -94.14 154.42 17.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.808 0.337 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 68.8 mt -81.56 158.37 24.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.756 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.509 HG13 ' H ' ' B' ' 72' ' ' MET . 12.9 pt -117.23 -52.14 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.215 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.509 ' H ' HG13 ' B' ' 71' ' ' ILE . 63.9 mtt -151.02 166.66 30.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.408 ' HB ' ' HB2' ' B' ' 56' ' ' GLU . 36.9 mt -127.43 135.72 62.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.503 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.578 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 41.6 m-85 -119.81 145.34 46.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.864 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . 0.52 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 27.5 tt0 -114.42 93.21 4.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.351 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.2 p -83.96 117.67 29.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.308 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.466 ' HG3' ' H ' ' B' ' 79' ' ' ALA . 10.5 tp10 -89.7 143.77 26.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.59 -30.28 62.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.619 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.466 ' H ' ' HG3' ' B' ' 77' ' ' GLU . . . -65.84 154.97 37.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.771 0.32 . . . . 0.0 111.154 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.37 155.24 89.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.46 171.84 0.56 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.493 2.128 . . . . 0.0 112.367 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . 59.8 97.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.303 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.89 -24.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.167 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -116.68 91.67 35.37 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.62 -12.24 34.14 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.547 2.164 . . . . 0.0 112.283 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . 58.56 20.2 7.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.319 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 63.44 117.09 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 65.38 145.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.097 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.875 -179.876 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.2 mtp . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.821 0.343 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.59 137.11 54.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.76 -177.47 6.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -80.74 -30.59 36.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.2 t -131.32 111.3 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -150.12 162.73 39.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.029 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.26 132.56 87.91 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.7 155.05 72.28 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.242 1.961 . . . . 0.0 112.307 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.99 160.13 24.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.0 mt 65.62 127.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.418 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.0 m -93.25 142.17 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.069 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -118.2 -25.52 6.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.5 m -137.19 154.43 30.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.196 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.3 p -131.47 -31.49 1.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 63.05 120.37 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.226 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.4 t -102.44 128.59 55.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.214 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 53.0 ttm -139.8 119.48 13.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.26 135.51 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.653 ' HB2' ' HZ1' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -109.06 150.01 28.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.703 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.5 m 41.1 -159.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 O-C-N 123.606 0.566 . . . . 0.0 111.854 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.26 -52.04 0.83 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.226 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.81 92.27 8.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.758 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -107.57 2.58 24.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.756 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.97 -43.26 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.24 108.46 19.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.023 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.96 7.75 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.984 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 43.09 -161.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.729 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -146.16 163.97 33.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.7 t -131.76 95.84 3.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -143.48 109.01 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.764 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.9 mm -111.77 102.72 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.2 t -156.9 -4.82 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 p -60.4 148.71 8.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -147.13 -52.84 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.37 115.44 4.18 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.553 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -114.02 136.28 53.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.626 0.251 . . . . 0.0 110.766 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.578 ' HB2' ' HZ2' ' A' ' 41' ' ' LYS . 4.1 ttmp? 57.73 89.67 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -127.08 -7.23 5.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.211 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.8 t -58.81 146.08 38.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.627 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 45.7 tpp -142.58 123.16 14.09 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.027 0.441 . . . . 0.0 111.336 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -78.12 136.25 37.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.847 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 35.3 m -115.06 141.34 26.84 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.071 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.488 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 73.6 Cg_endo -101.48 172.22 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.299 2.666 . . . . 0.0 112.606 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.74 141.22 38.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.59 -44.98 1.86 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.536 2.157 . . . . 0.0 112.803 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -142.09 159.59 41.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.021 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.13 152.35 44.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.703 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.65 159.71 12.76 Favored Glycine 0 C--O 1.228 -0.277 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.803 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.606 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 17.2 m -97.17 139.56 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 120.97 0.414 . . . . 0.0 110.981 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.4 t -73.74 133.09 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -128.5 -48.67 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -135.73 108.13 7.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.149 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -75.03 177.75 6.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.728 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -129.78 -38.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.777 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.21 143.33 32.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.543 ' N ' HD21 ' A' ' 60' ' ' ASN . 0.9 OUTLIER -96.9 150.92 20.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.699 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.0 t -56.99 130.19 19.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.8 -4.07 61.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.377 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -104.1 115.73 30.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.798 0.333 . . . . 0.0 111.184 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.663 ' HA ' ' HA ' ' B' ' 53' ' ' VAL . 22.5 ptmt -47.82 169.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.147 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.2 p -135.12 164.96 32.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.645 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -141.4 152.38 44.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 111.021 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.2 p -59.92 127.94 34.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.205 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.86 -3.77 62.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.598 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 t -101.85 137.35 40.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.481 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 85.0 mt -66.35 161.48 22.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.033 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.8 pt -128.27 -38.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.292 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 56.0 ttm -164.89 158.37 17.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.878 0.371 . . . . 0.0 111.07 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.3 mt -129.15 129.83 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.437 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -101.34 126.5 48.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.907 0.384 . . . . 0.0 111.62 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -93.17 92.49 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.064 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.5 p -101.33 154.36 4.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.978 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -126.54 107.27 10.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.988 0.423 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -154.59 -38.19 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.343 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.57 127.56 37.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.747 0.308 . . . . 0.0 111.157 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.77 156.49 89.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.03 -9.94 21.18 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.436 2.091 . . . . 0.0 112.22 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.65 24.72 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.957 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.59 -88.27 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.416 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -104.75 145.05 29.97 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.085 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -79.22 153.29 24.46 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.423 2.082 . . . . 0.0 112.195 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.69 136.83 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.163 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -131.16 147.26 52.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -117.88 179.78 3.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.881 -179.836 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 75.0 mtm . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.889 0.376 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.598 HG13 ' HG3' ' B' ' 3' ' ' LYS . 7.2 p -89.51 -32.67 5.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.973 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.606 ' HB3' ' HZ1' ' B' ' 3' ' ' LYS . 8.8 mtpm? -107.13 153.84 22.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.743 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -110.34 170.64 7.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.076 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.4 t -79.88 115.13 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 60.05 100.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.156 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -103.3 132.62 20.93 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.121 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.03 125.72 11.77 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.418 2.079 . . . . 0.0 112.25 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 58.38 -177.28 0.08 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 16.7 tt -149.48 144.38 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.13 138.17 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.013 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -130.4 124.56 32.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -125.65 170.55 15.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.33 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 49.6 p -72.89 152.05 41.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.101 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -110.32 111.04 22.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.018 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 m -96.27 -1.62 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -80.03 106.07 11.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.624 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 m -142.69 120.92 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.404 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt 57.55 -87.72 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.49 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -158.04 142.99 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.072 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.08 -19.97 3.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.603 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -137.8 113.79 9.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.674 0.273 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 62.36 106.21 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.279 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 37.5 t -81.03 -49.24 18.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.53 -33.51 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.748 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.1 18.23 6.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.372 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -92.72 173.83 7.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -144.56 -171.99 3.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 50.1 m -65.29 161.56 19.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.4 ' N ' HD13 ' B' ' 34' ' ' LEU . 6.5 mp -106.92 22.71 15.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.983 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 62.9 mt -61.15 113.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.205 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 76.4 m -91.91 130.94 37.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -121.08 -31.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -108.95 121.17 44.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.792 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.32 17.6 1.24 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.91 145.82 55.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.662 ' HZ3' ' HB2' ' B' ' 41' ' ' LYS . 0.2 OUTLIER -114.22 -2.13 13.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.499 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.6 -15.38 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.257 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 48.0 t -59.07 141.64 53.52 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.404 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 45.4 tpp -138.52 127.15 23.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.026 0.441 . . . . 0.0 111.326 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.63 136.31 35.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 34.7 m -113.57 140.67 24.83 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.18 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 68.5 Cg_endo -101.34 174.76 0.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.181 2.587 . . . . 0.0 112.438 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.64 140.09 33.51 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.16 -45.69 1.8 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.482 2.121 . . . . 0.0 112.58 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -141.84 162.42 35.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.976 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.92 149.9 39.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.969 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.8 161.45 17.44 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.149 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.663 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 7.6 m -97.32 143.02 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.007 0.432 . . . . 0.0 111.284 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.4 t -74.72 135.49 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.07 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -131.77 -49.12 0.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.101 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -135.64 109.18 7.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -76.46 178.71 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.711 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -130.39 -38.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.706 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.9 142.94 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.531 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.9 OUTLIER -96.6 151.04 19.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.795 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 42.5 t -56.94 130.37 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.68 -10.74 60.95 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -97.43 124.76 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.794 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 22.2 ptmt -55.93 174.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.73 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.1 p -137.64 165.05 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.334 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -144.26 152.67 41.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 0.0 111.015 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 75.1 p -59.79 128.98 39.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.317 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.21 -6.54 66.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.632 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 43.5 t -98.79 137.94 36.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 111.078 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 79.6 mt -68.24 161.09 27.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 29.4 pt -128.0 -36.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.502 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 54.7 ttm -167.38 155.74 9.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.922 0.391 . . . . 0.0 111.217 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 38.6 mt -125.77 136.68 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.132 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -108.79 124.09 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 111.439 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -90.39 92.75 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.225 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 p -101.13 153.65 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.104 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -130.63 124.52 31.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 144.08 -104.33 0.33 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.581 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.04 148.4 26.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.729 0.299 . . . . 0.0 111.159 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.85 150.51 36.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.11 -60.29 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.591 2.194 . . . . 0.0 112.269 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.87 -177.41 5.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.078 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 58.29 17.3 4.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.336 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.532 ' HB3' ' HD3' ' B' ' 85' ' ' PRO . . . -63.52 -48.84 80.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.752 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' B' ' 84' ' ' ALA . 41.3 Cg_exo -57.61 -63.83 0.14 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.162 1.908 . . . . 0.0 112.189 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -150.31 169.41 21.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' B' ' 87' ' ' LYS . 0.5 OUTLIER -68.22 -69.55 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.776 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -156.47 -34.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.913 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.343 -0.836 . . . . 0.0 111.007 -179.901 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mtt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.861 0.362 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.7 p -167.46 -27.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -85.84 112.49 21.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.766 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -118.48 98.07 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.749 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.9 t -126.99 -41.26 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -74.09 111.69 9.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.723 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.07 148.69 60.96 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.291 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.16 162.3 20.27 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.531 2.154 . . . . 0.0 112.532 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -138.21 -34.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.577 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.1 mm -121.0 134.76 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.17 132.11 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -151.67 -58.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.4 p -109.89 133.12 56.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.3 p -139.01 -51.93 0.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 58.64 18.82 6.17 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.815 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.4 t 59.42 100.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.235 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 53.4 ttm -129.59 -39.27 1.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.2 m -92.71 132.59 36.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.226 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -88.32 133.33 34.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.755 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.32 -32.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.014 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.8 -171.33 34.47 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.345 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -75.56 151.91 37.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.695 0.283 . . . . 0.0 110.81 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 13.2 mptt -94.15 158.21 15.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.1 t 65.29 137.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.424 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -130.1 -54.75 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 58.19 97.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.221 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -89.2 -52.5 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -132.11 170.54 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.009 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t 61.49 104.48 0.02 OUTLIER 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.2 mm? -87.75 153.37 21.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.6 mm -117.21 -53.02 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.405 HG21 ' HG2' ' A' ' 38' ' ' GLU . 88.9 m -64.3 139.46 58.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 p -107.92 -22.5 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.181 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HG2' HG21 ' A' ' 36' ' ' THR . 15.0 mm-40 60.39 -176.73 0.11 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -111.78 -69.84 0.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.316 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -66.16 145.75 55.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -139.54 3.06 2.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.559 ' HB2' HG13 ' B' ' 76' ' ' VAL . . . -100.37 -34.3 10.02 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.122 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.2 t -61.52 146.23 49.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.566 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 17.8 ttt -144.53 125.52 14.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.884 0.373 . . . . 0.0 111.422 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.492 ' HG2' HG12 ' B' ' 73' ' ' ILE . 25.8 mt-10 -76.46 99.33 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.451 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 31.8 m -72.07 130.9 85.91 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.302 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 69.3 Cg_endo -101.63 167.84 0.32 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.187 2.592 . . . . 0.0 112.467 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.93 140.08 77.15 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.27 -45.82 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.382 2.055 . . . . 0.0 112.646 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -143.8 156.53 44.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.979 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.61 155.84 38.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.795 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.77 -160.56 26.39 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.302 -0.952 . . . . 0.0 113.19 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.7 t -129.85 124.79 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.768 0.318 . . . . 0.0 110.59 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.51 100.71 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.152 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -79.58 -53.21 7.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.17 144.02 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.101 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -105.94 172.12 6.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.766 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -134.59 6.01 3.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.327 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.68 140.37 42.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.939 0.399 . . . . 0.0 111.26 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.481 ' N ' HD21 ' A' ' 60' ' ' ASN . 0.9 OUTLIER -106.38 148.38 28.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.864 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.5 t -64.87 120.74 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.61 -14.04 17.78 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -92.67 117.92 30.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 111.029 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.601 ' HZ2' ' HB3' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -53.79 158.6 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.232 179.745 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.4 HG21 ' N ' ' A' ' 66' ' ' LYS . 8.9 p -114.95 161.87 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.136 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.4 ' N ' HG21 ' A' ' 65' ' ' VAL . 37.3 mtmm -140.22 161.11 38.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.672 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.5 p -73.09 118.6 16.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.36 -2.61 28.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.593 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.2 p -101.63 131.57 47.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.348 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.474 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 74.3 mt -68.21 170.41 8.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.75 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.486 HG13 ' H ' ' A' ' 72' ' ' MET . 14.6 pt -136.11 -51.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.305 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.486 ' H ' HG13 ' A' ' 71' ' ' ILE . 72.3 mtm -149.3 164.76 33.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.779 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.464 HG12 ' HG2' ' B' ' 45' ' ' GLU . 3.4 mp -134.98 129.81 51.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.577 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -108.92 124.84 51.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 111.571 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -91.03 92.57 8.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.012 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.515 HG13 ' HB2' ' B' ' 42' ' ' ALA . 7.4 p -93.84 147.22 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.931 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -110.98 96.82 6.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.59 -68.02 1.19 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.358 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.46 131.44 35.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.14 134.37 93.04 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -57.1 155.24 29.64 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.418 2.078 . . . . 0.0 112.292 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.36 153.41 33.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 60.24 100.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.395 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.533 ' HB1' ' HD3' ' A' ' 85' ' ' PRO . . . -64.1 -48.77 76.67 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.639 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.533 ' HD3' ' HB1' ' A' ' 84' ' ' ALA . 57.4 Cg_exo -51.94 -29.49 35.68 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.2 1.933 . . . . 0.0 112.488 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.56 133.51 52.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -130.4 -41.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -90.16 -28.52 18.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.936 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.2 tmm? . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m -57.42 156.17 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -99.38 110.99 23.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.254 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 62.68 113.6 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.241 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -155.87 130.58 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.078 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -82.59 171.93 13.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.766 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 68.8 t -127.12 127.47 24.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.177 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.7 138.59 86.58 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.347 2.031 . . . . 0.0 112.204 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -148.81 -27.92 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 43.2 pt -72.75 166.75 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.4 m -79.33 152.1 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.214 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.16 -64.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 59.2 t -137.25 132.18 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.6 p -71.19 176.2 4.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.213 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -78.79 123.18 26.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.996 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -152.81 142.37 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -111.29 128.01 55.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 p -164.52 -28.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.262 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -60.46 -25.37 65.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.8 p -77.76 -29.37 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.56 74.92 0.29 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.585 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.83 116.58 7.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.715 0.293 . . . . 0.0 110.816 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -95.74 125.01 40.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.975 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 14.5 p -168.25 -30.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 61.33 174.42 0.11 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.317 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -165.47 4.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -75.82 144.84 41.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -99.48 151.79 20.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 44.6 t -90.27 1.23 56.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.774 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.8 mt -128.88 166.97 18.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 67.5 mt 59.18 97.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.17 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 74.9 p -117.07 4.31 12.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.319 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 33.6 m -75.44 175.03 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.299 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -95.98 -162.47 0.95 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.0 -46.03 70.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.649 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -151.7 112.15 4.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.721 0.296 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -176.95 91.64 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.687 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.515 ' HB2' HG13 ' A' ' 76' ' ' VAL . . . -126.57 -40.42 1.93 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.378 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 43.7 t -60.27 142.7 54.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.653 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 18.1 ttt -140.2 130.38 25.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.891 0.377 . . . . 0.0 111.169 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.464 ' HG2' HG12 ' A' ' 73' ' ' ILE . 29.3 mt-10 -80.78 102.35 9.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.265 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.447 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 35.9 m -74.25 130.56 82.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.533 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.474 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 76.3 Cg_endo -101.78 168.66 0.31 Allowed 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.284 2.656 . . . . 0.0 112.433 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.92 139.97 73.73 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.33 -44.44 1.13 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.359 2.039 . . . . 0.0 112.629 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -145.44 157.34 44.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 111.104 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.24 153.34 42.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.066 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.0 -156.38 18.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.628 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.6 t -130.1 128.51 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 111.086 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.8 t -73.71 101.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.058 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -80.5 -53.27 6.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.6 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.79 145.81 9.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.027 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -108.01 170.49 7.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.851 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -133.02 6.27 3.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.309 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.02 139.87 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 111.465 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.501 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.9 OUTLIER -106.02 149.19 26.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.618 179.775 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 45.2 t -66.1 121.44 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.72 -14.45 17.32 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -92.31 120.57 32.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.766 0.317 . . . . 0.0 110.794 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.603 ' HZ2' ' HB3' ' B' ' 64' ' ' LYS . 0.3 OUTLIER -56.35 158.19 4.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.403 HG21 ' N ' ' B' ' 66' ' ' LYS . 5.6 p -113.26 164.08 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.403 ' N ' HG21 ' B' ' 65' ' ' VAL . 37.2 mtmm -143.38 162.02 36.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.853 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 72.0 p -73.47 117.9 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.79 -0.27 28.86 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.668 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 88.2 p -104.22 130.96 51.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.816 0.341 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 73.6 mt -67.92 170.43 8.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.798 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.495 HG13 ' H ' ' B' ' 72' ' ' MET . 14.7 pt -136.4 -51.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.495 ' H ' HG13 ' B' ' 71' ' ' ILE . 73.5 mtm -149.44 165.6 31.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.492 HG12 ' HG2' ' A' ' 45' ' ' GLU . 3.1 mp -135.23 135.69 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.206 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -114.93 122.72 47.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.26 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -89.04 92.58 9.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.874 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.559 HG13 ' HB2' ' A' ' 42' ' ' ALA . 3.7 p -92.59 149.8 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -124.13 -43.56 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.637 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 58.8 61.1 7.76 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.575 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.54 138.76 32.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.776 0.322 . . . . 0.0 111.243 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.33 145.33 29.39 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.009 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.43 144.44 83.61 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.525 2.15 . . . . 0.0 112.314 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.83 -56.9 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.57 131.16 6.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -131.75 135.17 26.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -80.15 165.69 21.26 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.421 2.08 . . . . 0.0 112.451 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . 61.99 108.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.619 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -139.73 134.93 32.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.708 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.32 166.41 23.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.962 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.956 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.2 t -91.85 -44.63 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.976 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -74.54 135.48 42.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -111.75 123.07 49.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 31.6 m -66.04 -15.44 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.044 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -112.52 160.88 17.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.522 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -84.44 150.05 56.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.12 158.97 54.77 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.471 2.114 . . . . 0.0 112.162 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -112.82 -76.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.3 mt 64.87 132.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.255 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.81 142.4 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.059 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -73.37 114.25 11.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -155.68 115.98 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.974 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.2 p -144.68 130.4 19.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.055 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.65 149.72 49.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.75 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.7 m -56.07 147.59 4.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.318 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.6 mmt 60.81 -176.85 0.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.067 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -99.39 164.71 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -64.86 136.97 57.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.007 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.2 t 58.85 98.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.293 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.75 74.98 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -73.41 148.34 43.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.36 . . . . 0.0 110.937 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -116.39 -9.74 11.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.19 131.21 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.0 -45.15 20.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.079 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.93 17.86 6.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.311 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -108.0 30.84 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 61.47 106.83 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.2 t -126.65 146.97 49.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.9 mt -103.9 113.87 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.6 pt -112.27 -2.89 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -71.46 159.59 34.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.2 m -87.0 -179.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -136.91 142.06 42.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.47 70.43 3.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.581 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.1 126.86 30.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.647 0.261 . . . . 0.0 110.736 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.602 ' HB3' ' HZ1' ' A' ' 41' ' ' LYS . 7.9 mtpm? 57.91 93.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.756 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -122.0 -21.62 5.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.457 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.543 ' HB2' ' HA ' ' B' ' 75' ' ' GLU . 47.1 t -57.52 144.81 35.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.595 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 56.9 ttp -152.82 129.38 10.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.192 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -69.11 148.63 49.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.649 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.0 m -124.73 144.53 46.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.086 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -101.78 146.75 0.27 Allowed 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 123.228 2.619 . . . . 0.0 112.37 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.77 145.27 78.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.012 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.27 -50.54 0.72 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.457 2.104 . . . . 0.0 112.479 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -146.6 149.62 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.82 145.3 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.421 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -173.23 -169.95 36.27 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.855 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.7 t -129.38 130.93 67.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.76 0.314 . . . . 0.0 110.483 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.6 t -71.52 109.68 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.042 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -112.81 -47.98 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.766 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -124.6 106.68 10.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.03 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.7 tp -89.94 124.01 34.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.716 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -104.1 -3.02 25.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.455 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.0 m -118.98 141.52 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 111.271 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -124.71 151.64 44.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.747 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.9 t -54.05 119.88 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.26 13.25 57.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -104.22 108.99 20.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.461 ' HZ1' ' HD2' ' A' ' 66' ' ' LYS . 14.0 ptmm? -48.92 150.99 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.342 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.94 156.26 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.802 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HD2' ' HZ1' ' A' ' 64' ' ' LYS . 55.0 mtpt -138.69 148.94 44.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.6 m -62.1 129.78 42.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.27 -16.67 58.89 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.0 t -84.21 157.27 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mp -79.48 155.69 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.767 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 72' ' ' MET . 19.0 pt -128.87 -48.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.617 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.455 ' N ' HG13 ' A' ' 71' ' ' ILE . 9.8 ptm -168.1 143.31 3.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.816 0.341 . . . . 0.0 111.141 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.1 mt -110.15 138.88 35.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.421 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 58.9 m-85 -111.12 130.23 55.68 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.506 ' HA ' ' HB2' ' B' ' 43' ' ' SER . 40.0 tt0 -93.67 92.28 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.401 ' O ' ' HB3' ' B' ' 42' ' ' ALA . 4.3 m -98.97 158.29 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.595 -178.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -113.68 108.54 17.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -89.79 -71.65 1.25 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.555 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.11 141.21 28.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.319 . . . . 0.0 111.046 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.08 146.04 92.51 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.81 -52.86 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.583 2.189 . . . . 0.0 112.407 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -167.56 104.59 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.23 104.04 12.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.481 ' HB3' ' HD3' ' A' ' 85' ' ' PRO . . . -72.6 -51.63 6.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.503 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.481 ' HD3' ' HB3' ' A' ' 84' ' ' ALA . 90.0 Cg_endo -77.54 -11.51 17.12 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.017 1.811 . . . . 0.0 112.253 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 59.71 -176.05 0.1 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.236 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -107.7 155.9 19.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 63.43 111.28 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.066 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.999 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.513 ' HG3' HG13 ' B' ' 2' ' ' VAL . 26.1 ptt? . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.849 0.357 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.513 HG13 ' HG3' ' B' ' 1' ' ' MET . 29.4 m -117.88 148.37 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.09 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -96.02 -27.95 14.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.767 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.08 100.99 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.661 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.8 t -80.65 127.52 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.048 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -126.24 178.52 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 29.6 m -91.42 155.14 44.41 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.137 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.39 128.42 20.27 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.454 2.103 . . . . 0.0 112.177 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -68.71 115.22 7.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.044 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 tp -141.76 -25.47 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.759 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.0 p -129.92 140.79 48.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -70.81 112.88 7.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -116.98 -30.88 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -103.81 -16.53 15.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -89.38 155.55 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 31.4 m -60.93 -22.25 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.291 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 26.8 ttt 61.54 102.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.083 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 34.3 t -68.18 149.66 11.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -59.04 -77.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 43.3 t -129.52 -75.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.344 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.73 125.87 2.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -94.99 157.83 15.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.856 0.36 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -94.43 126.05 39.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.19 12.07 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.49 155.75 28.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.239 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.75 169.12 11.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.995 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -97.45 -41.18 8.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -128.26 177.9 6.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.997 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -93.68 177.19 6.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.733 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 49.6 tp -113.45 -41.7 3.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.231 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 50.7 mm 64.58 -79.19 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.129 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 94.5 m -62.4 125.29 23.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.196 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.9 t -119.51 -45.98 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 62.55 172.24 0.14 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.027 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.81 158.72 19.38 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.532 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -97.64 135.76 38.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.701 0.286 . . . . 0.0 110.795 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' B' ' 43' ' ' SER . 36.7 mtmm -95.45 -4.46 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.709 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 76' ' ' VAL . . . 69.93 -17.52 0.25 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.835 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 48.3 t -62.15 141.75 58.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.524 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 60.1 ttp -148.02 130.35 15.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.34 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -70.31 150.2 46.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.534 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 32.7 m -125.79 145.01 50.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.262 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 76.9 Cg_endo -101.62 150.46 0.32 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.286 2.657 . . . . 0.0 112.532 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.23 144.49 94.68 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.821 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.46 -49.33 1.26 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.49 2.127 . . . . 0.0 112.634 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -147.99 151.31 35.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.063 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.98 144.64 44.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.1 -163.59 28.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.61 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 45.1 t -130.93 134.94 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 111.109 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.3 t -74.16 109.66 7.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -112.8 -50.24 2.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.972 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -122.43 108.53 13.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 32.9 tp -91.08 124.32 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.662 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -104.13 -3.13 24.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.415 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.87 141.83 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 111.362 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -125.03 151.49 45.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.573 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.42 119.59 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.085 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.9 10.67 58.56 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.581 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -101.47 112.49 25.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.709 0.29 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.542 ' HZ1' ' HD2' ' B' ' 66' ' ' LYS . 13.9 ptmm? -52.49 150.1 5.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.262 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.18 158.5 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.81 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.542 ' HD2' ' HZ1' ' B' ' 64' ' ' LYS . 55.4 mtpt -142.49 150.28 40.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 111.09 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.8 m -63.46 129.34 39.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.16 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.51 -17.59 57.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.532 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 47.3 t -82.92 157.97 22.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 8.0 mp -81.63 153.64 26.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.806 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.466 HG13 ' N ' ' B' ' 72' ' ' MET . 20.9 pt -126.76 -49.0 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.782 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.466 ' N ' HG13 ' B' ' 71' ' ' ILE . 10.1 ptm -168.14 142.37 3.41 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.79 0.328 . . . . 0.0 111.329 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 38.1 mt -107.1 145.85 14.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.45 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -118.84 126.79 52.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.736 0.303 . . . . 0.0 111.686 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . 0.543 ' HA ' ' HB2' ' A' ' 43' ' ' SER . 40.0 tt0 -90.83 92.74 8.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.693 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 m -99.03 158.49 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.4 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -115.3 126.66 54.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.27 -49.7 60.12 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.533 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -120.61 117.45 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 111.051 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.97 126.81 74.13 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.04 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.7 -13.2 32.55 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.426 2.084 . . . . 0.0 112.177 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.34 -68.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.058 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.05 149.95 44.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.535 ' HB3' ' HD3' ' B' ' 85' ' ' PRO . . . -87.53 -49.22 0.45 Allowed Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.626 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . 0.535 ' HD3' ' HB3' ' B' ' 84' ' ' ALA . 42.8 Cg_exo -57.38 119.71 7.14 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.059 1.839 . . . . 0.0 112.382 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -135.68 125.47 25.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -135.29 -71.66 0.47 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -140.19 -54.89 0.53 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.019 -179.905 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.775 0.322 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.3 m -125.92 145.2 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -78.92 137.54 37.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -81.59 133.92 35.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.55 HG12 HD21 ' A' ' 6' ' ' ASN . 17.1 t -86.13 101.03 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.974 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.55 HD21 HG12 ' A' ' 5' ' ' VAL . 41.9 m-80 57.43 93.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -97.39 130.72 28.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.34 139.8 91.53 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.37 2.047 . . . . 0.0 112.291 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -95.16 -66.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.633 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 pt -108.79 142.89 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.909 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.2 t 61.04 101.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.67 -61.62 2.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 p -113.12 142.47 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.058 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.6 p -94.54 148.53 22.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.65 175.12 5.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.057 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.4 p -165.62 -33.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 86.6 mtp -76.85 106.96 8.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -100.05 -174.51 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.293 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -62.31 134.79 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.012 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 p -125.78 144.71 34.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.29 153.82 24.17 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.54 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -84.41 134.37 34.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.73 0.3 . . . . 0.0 110.595 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.575 ' HB2' ' HZ2' ' A' ' 27' ' ' LYS . 4.6 ttmp? -56.48 -42.56 78.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.331 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.7 t -69.53 146.6 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 62.31 12.46 5.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.474 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.52 -47.48 5.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -156.29 109.01 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.012 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -148.09 120.35 8.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.794 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.4 t -94.3 148.98 21.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.073 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -85.09 100.07 11.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.723 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.5 mt -130.66 105.62 11.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.182 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.5 m -107.09 127.17 53.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.85 148.61 11.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.412 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.47 160.72 41.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.701 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.49 -16.39 56.58 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.403 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -117.27 143.1 46.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.635 0.255 . . . . 0.0 110.713 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm 58.85 94.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -95.31 -12.62 25.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.431 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.1 t -58.51 146.6 34.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.453 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.5 tpt -151.7 121.13 6.85 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.876 0.37 . . . . 0.0 111.321 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HG2' HG12 ' B' ' 73' ' ' ILE . 24.5 mt-10 -65.23 147.57 53.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.755 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.8 m -121.51 137.51 27.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 64.2 Cg_endo -101.66 170.26 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.162 2.574 . . . . 0.0 112.493 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.11 143.11 69.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.68 -42.37 2.49 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.385 2.057 . . . . 0.0 112.457 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -146.83 152.05 38.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.99 146.4 47.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.407 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.46 -168.51 33.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.231 -0.985 . . . . 0.0 112.979 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.64 125.15 70.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.638 0.256 . . . . 0.0 110.823 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.7 t -71.57 108.66 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.956 0.408 . . . . 0.0 111.089 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -84.2 -67.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.796 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -149.74 127.54 11.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.793 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -58.98 152.49 19.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.816 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -112.73 -21.45 11.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.782 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.3 m -121.44 155.99 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -107.04 151.05 25.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.648 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.94 124.07 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.82 15.4 20.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.32 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -116.56 115.42 25.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.837 0.351 . . . . 0.0 111.085 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -49.38 142.76 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.26 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -110.85 157.58 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.04 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' H ' ' HG ' ' A' ' 69' ' ' SER . 29.3 mtpp -142.49 157.21 44.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.0 p -61.95 121.25 12.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.71 -7.13 33.61 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.663 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.41 ' HG ' ' H ' ' A' ' 66' ' ' LYS . 96.3 p -91.55 141.69 28.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.849 0.357 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.1 mt -83.75 146.64 28.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.758 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.513 HG13 ' H ' ' A' ' 72' ' ' MET . 9.4 pt -112.3 -52.59 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.463 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.513 ' H ' HG13 ' A' ' 71' ' ' ILE . 66.6 mtt -148.62 169.53 20.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.96 0.409 . . . . 0.0 111.248 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.441 HG12 ' HG2' ' B' ' 45' ' ' GLU . 35.4 mt -132.64 129.78 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.605 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -107.79 133.34 52.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 111.785 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -101.71 92.66 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.865 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.2 p -93.18 151.29 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.182 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -99.3 111.35 23.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.38 124.14 3.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.677 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.79 150.96 20.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.17 140.32 65.74 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.13 123.7 6.85 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.505 2.136 . . . . 0.0 112.373 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 59.42 177.31 0.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.338 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 58.94 16.91 4.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.453 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.474 ' N ' ' HD2' ' A' ' 85' ' ' PRO . . . -78.57 -51.23 1.5 Allowed Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.742 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 84' ' ' ALA . 56.1 Cg_endo -70.34 133.32 24.24 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.994 1.796 . . . . 0.0 112.446 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.69 -71.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -163.29 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -60.99 -63.97 1.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.962 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ptp . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.84 0.353 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.566 HG12 ' HG3' ' B' ' 3' ' ' LYS . 12.1 p -84.71 -21.52 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.566 ' HG3' HG12 ' B' ' 2' ' ' VAL . 61.1 mttp -137.99 147.71 44.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.62 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.5 -176.38 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.094 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 m -130.1 174.69 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.987 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . 0.556 ' N ' HD21 ' B' ' 6' ' ' ASN . 0.8 OUTLIER -102.92 -63.23 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 30.3 m -87.59 151.73 50.88 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.239 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.55 156.53 57.8 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.498 2.132 . . . . 0.0 112.289 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -165.24 -20.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.449 ' N ' HD13 ' B' ' 10' ' ' ILE . 3.8 mp 61.83 106.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 24.8 m -122.72 -177.84 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.251 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -111.79 158.79 18.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.768 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 44.1 t -101.44 126.6 55.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 7.0 t -145.37 140.26 27.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.97 166.36 19.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.791 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 t -76.49 -44.39 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 57.4 ttp 60.79 105.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.169 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -107.7 103.36 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.056 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -120.67 9.02 10.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.686 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.13 123.91 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.12 50.26 0.78 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.53 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -80.38 -176.66 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.745 0.307 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.451 ' N ' ' HD2' ' B' ' 27' ' ' LYS . 10.8 mptt -84.83 -175.25 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.683 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.549 HG22 ' H ' ' B' ' 30' ' ' ALA . 27.2 m -70.07 -30.35 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.99 13.9 3.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.299 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.549 ' H ' HG22 ' B' ' 28' ' ' VAL . . . -140.42 -170.04 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.075 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 61.26 13.75 5.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.783 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -73.93 -22.12 59.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.9 t -80.88 175.73 10.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.646 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.5 mt -108.06 -12.68 15.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.128 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.451 ' N ' HD13 ' B' ' 35' ' ' ILE . 3.8 mp 59.42 98.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -138.95 151.61 47.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.939 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.46 HG11 ' H ' ' B' ' 39' ' ' GLY . 32.0 t -64.1 132.07 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.964 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.39 -33.07 74.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.058 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . 0.46 ' H ' HG11 ' B' ' 37' ' ' VAL . . . -77.5 -101.26 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.503 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -126.29 149.75 48.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.664 0.269 . . . . 0.0 110.791 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -139.29 -71.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.98 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.45 -11.48 29.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 40.6 t -59.32 141.77 53.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 15.5 tpt -146.23 125.28 12.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.061 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.441 ' HG2' HG12 ' A' ' 73' ' ' ILE . 28.5 mt-10 -68.37 148.93 50.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.725 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -121.81 137.36 27.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.072 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -101.78 172.97 0.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.261 2.641 . . . . 0.0 112.617 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.29 142.63 59.02 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.02 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.83 -43.11 1.9 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.363 2.042 . . . . 0.0 112.498 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -146.61 154.0 40.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.034 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.21 141.31 57.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -168.89 -162.76 21.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.572 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -124.13 129.72 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 111.202 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 73.2 t -74.49 109.12 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -85.62 -67.81 0.78 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -149.84 126.0 10.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -57.02 152.57 12.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.657 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -112.78 -21.88 10.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.706 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 26.7 m -120.6 155.87 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -107.3 150.29 26.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.764 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 46.1 t -66.26 124.77 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.14 13.08 25.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -114.69 120.14 39.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -53.91 142.18 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.091 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.16 158.13 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.987 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.402 ' H ' ' HG ' ' B' ' 69' ' ' SER . 29.4 mtpp -144.18 158.66 43.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.018 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 71.7 p -62.65 122.06 14.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.34 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.52 -10.93 35.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.697 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' SER . . . . . 0.402 ' HG ' ' H ' ' B' ' 66' ' ' LYS . 96.9 p -88.18 143.24 27.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 111.078 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 62.9 mt -85.8 146.52 26.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.735 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.522 HG13 ' H ' ' B' ' 72' ' ' MET . 10.3 pt -112.2 -52.75 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.601 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.522 ' H ' HG13 ' B' ' 71' ' ' ILE . 64.6 mtt -148.61 168.62 22.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.031 0.443 . . . . 0.0 111.336 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.42 HG12 ' HG2' ' A' ' 45' ' ' GLU . 27.7 mt -129.8 138.82 53.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.012 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -117.81 129.56 55.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.846 0.355 . . . . 0.0 111.464 -179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -97.92 92.72 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.228 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.419 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 9.2 p -93.38 151.56 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.959 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -99.8 152.86 19.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.745 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.32 -79.57 0.07 OUTLIER Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.882 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.0 132.68 53.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.306 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.09 152.84 92.71 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.38 -66.45 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.372 2.048 . . . . 0.0 112.451 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.36 -78.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 56.14 89.6 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.382 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.507 ' H ' ' HD2' ' B' ' 85' ' ' PRO . . . -169.87 -51.41 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.586 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . 0.507 ' HD2' ' H ' ' B' ' 84' ' ' ALA . 90.9 Cg_endo -79.46 -52.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.073 1.849 . . . . 0.0 112.585 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . 58.48 -178.75 0.07 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.272 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -139.15 154.04 48.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 20.1 pm0 -130.16 156.03 45.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.878 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.4 p -135.71 -26.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.014 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp 61.04 103.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.261 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -150.58 157.52 43.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.77 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.9 m -115.93 16.69 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.293 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 60.85 -170.27 0.15 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.4 m -128.42 148.54 68.45 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.327 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.3 134.05 53.18 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.523 2.149 . . . . 0.0 112.127 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -94.34 169.33 10.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 pt -74.62 -17.63 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.179 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.2 p -89.45 140.75 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -156.27 -67.79 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.977 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.1 p -128.0 -27.62 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.5 m -64.15 106.21 1.03 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -128.06 -55.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.8 t 61.03 102.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.27 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.5 ttt -159.57 141.63 13.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.8 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.1 t -133.42 127.27 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.02 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -81.47 104.58 12.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.0 t -85.23 106.58 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -164.17 85.29 0.1 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.414 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -102.31 125.1 48.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 0.0 110.978 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -164.25 -40.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.634 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.76 109.72 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 62.13 -81.93 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.525 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 61.06 -177.94 0.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.331 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -162.69 171.55 16.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -125.55 -25.63 3.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.977 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.4 m -118.04 110.82 18.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.407 ' HG ' HG22 ' A' ' 35' ' ' ILE . 55.8 tp -96.35 -75.12 0.54 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.781 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.407 HG22 ' HG ' ' A' ' 34' ' ' LEU . 38.5 pt -141.62 158.1 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.982 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.4 p 51.17 -168.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.567 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -101.57 123.3 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -100.34 167.68 10.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.57 -131.03 1.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.584 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -129.85 140.53 50.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.872 0.367 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -74.09 173.51 9.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.33 61.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.015 0.435 . . . . 0.0 111.357 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.9 p -67.69 145.24 54.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.671 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.0 tpt -140.34 119.61 12.95 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -76.62 122.61 24.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.859 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.8 m -96.64 141.73 23.52 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 79.8 Cg_endo -101.83 169.48 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.183 2.589 . . . . 0.0 112.539 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.49 143.96 42.31 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.54 -43.21 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.499 2.133 . . . . 0.0 112.915 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -147.11 152.76 39.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.773 0.321 . . . . 0.0 111.15 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.07 150.55 47.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.492 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.14 -159.26 23.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.214 -0.994 . . . . 0.0 113.068 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.49 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 31.9 t -132.03 143.62 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.647 0.261 . . . . 0.0 110.562 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -71.78 118.21 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.92 0.391 . . . . 0.0 110.976 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -81.36 -61.08 2.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -160.34 134.62 7.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.448 ' HB2' HG23 ' B' ' 61' ' ' VAL . 6.6 tt -73.99 141.49 45.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.81 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.546 ' HZ2' HD12 ' A' ' 73' ' ' ILE . 19.7 ptpt -125.56 -13.63 6.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.287 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.516 HG13 ' HG3' ' A' ' 58' ' ' LYS . 27.4 m -120.29 139.73 46.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.913 0.387 . . . . 0.0 111.467 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -101.75 151.45 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.452 HG23 ' HB2' ' B' ' 57' ' ' LEU . 43.7 t -52.95 119.97 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.51 15.0 28.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.437 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -103.86 100.72 10.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 111.095 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' HA ' ' HA ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -48.15 153.07 0.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.352 179.71 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 p -115.88 163.19 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.942 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -140.76 150.69 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.847 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.9 p -59.0 122.99 15.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.188 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.25 -3.43 51.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.515 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.0 t -101.66 130.06 47.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.491 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 77.2 mt -67.0 160.04 27.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.781 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.526 HG13 ' H ' ' A' ' 72' ' ' MET . 12.7 pt -122.34 -52.13 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.403 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.526 ' H ' HG13 ' A' ' 71' ' ' ILE . 96.4 mmm -145.88 167.47 23.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.828 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.546 HD12 ' HZ2' ' A' ' 58' ' ' LYS . 18.4 mt -134.43 129.33 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -107.0 152.93 23.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.993 0.425 . . . . 0.0 111.6 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.593 ' HB3' ' HE3' ' B' ' 41' ' ' LYS . 44.0 mt-10 -114.37 94.46 4.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.239 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 p -99.89 119.36 47.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.08 0.466 . . . . 0.0 111.769 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -82.86 102.71 11.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.754 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.39 -68.29 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.565 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -149.96 123.22 8.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 0.0 111.078 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . . . -92.31 137.72 24.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 18.2 Cg_exo -66.53 -172.04 0.28 Allowed 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.607 2.205 . . . . 0.0 112.313 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.59 157.59 18.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.08 149.31 38.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.02 151.16 51.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.28 123.19 10.0 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.371 2.047 . . . . 0.0 112.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.13 153.33 35.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -112.38 111.16 21.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 61.03 101.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.168 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.804 -179.944 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.73 0.3 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.9 t 61.8 101.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.314 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -158.52 112.56 2.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.777 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -140.4 119.69 12.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.508 HG12 ' H ' ' B' ' 7' ' ' VAL . 11.0 p -139.35 -4.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.957 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 65.4 t30 62.43 19.8 11.41 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.068 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.508 ' H ' HG12 ' B' ' 5' ' ' VAL . 86.5 t -133.71 131.8 21.36 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.015 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.23 135.95 28.12 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.318 2.012 . . . . 0.0 112.215 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -146.03 155.85 43.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 pt -99.06 167.64 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -114.8 130.75 68.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.06 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -124.38 -49.09 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 24.6 m -113.44 157.19 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.196 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -99.37 -25.46 14.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.264 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.514 ' HG3' HG22 ' B' ' 20' ' ' VAL . 10.5 tp10 -150.67 117.44 5.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.514 HG22 ' HG3' ' B' ' 19' ' ' GLU . 53.0 t 65.06 144.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.444 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 48.9 ttm -126.02 -36.52 2.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 29.5 m -94.91 -178.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.937 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -169.92 -66.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 p -154.47 -24.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.87 -134.91 6.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.394 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -124.05 128.09 48.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.779 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -141.3 -8.05 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.84 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 25.9 m -105.99 142.65 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.21 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -166.45 -66.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.37 175.34 7.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -161.65 -27.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -75.91 -1.49 25.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 59.4 m -74.76 -66.09 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 48.0 tp 60.49 99.26 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 36.0 pt -95.01 141.07 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.071 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 77.7 p -141.73 -51.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 p -112.52 -30.6 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.57 111.7 4.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.41 -44.66 1.1 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.425 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -152.62 124.25 7.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.715 0.293 . . . . 0.0 110.832 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.593 ' HE3' ' HB3' ' A' ' 75' ' ' GLU . 53.3 tptt -169.65 89.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.646 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.72 134.74 34.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.55 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.6 p -136.92 130.83 32.21 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.668 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 16.3 tpt -122.29 126.91 49.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.998 0.427 . . . . 0.0 111.76 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -83.14 118.28 23.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.247 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.4 m -91.97 141.2 25.1 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.521 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.491 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 68.1 Cg_endo -101.85 170.46 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 123.277 2.651 . . . . 0.0 112.409 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.25 143.19 41.75 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.856 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.81 -42.2 1.21 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.455 2.103 . . . . 0.0 112.676 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -148.2 154.52 40.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 111.108 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.01 147.85 49.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.06 -156.79 17.43 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.586 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 33.4 t -131.29 144.89 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 0.0 111.002 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -71.88 119.11 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -82.52 -63.77 1.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -157.4 136.22 11.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.452 ' HB2' HG23 ' A' ' 61' ' ' VAL . 6.6 tt -75.97 140.68 42.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.766 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . 0.514 ' HG3' HG13 ' B' ' 59' ' ' VAL . 19.8 ptpt -124.97 -12.23 7.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.523 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.514 HG13 ' HG3' ' B' ' 58' ' ' LYS . 25.4 m -121.76 139.69 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.95 0.405 . . . . 0.0 111.445 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -102.07 151.47 22.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.448 HG23 ' HB2' ' A' ' 57' ' ' LEU . 41.9 t -52.56 119.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.41 12.98 31.83 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.645 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -101.98 103.08 13.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.746 0.307 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -50.56 153.63 1.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.34 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 p -114.67 165.11 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -143.62 151.37 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.861 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 78.7 p -59.89 122.9 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.242 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.7 -2.62 52.8 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.44 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.2 t -102.51 129.63 49.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.341 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 79.8 mt -66.8 160.45 25.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.806 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.517 HG13 ' H ' ' B' ' 72' ' ' MET . 14.1 pt -122.78 -52.41 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.319 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.517 ' H ' HG13 ' B' ' 71' ' ' ILE . 95.1 mmm -146.45 166.97 24.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.927 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.499 HD12 ' HZ2' ' B' ' 58' ' ' LYS . 12.2 mt -133.16 135.28 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.436 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -113.08 152.62 29.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.032 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -114.18 92.9 4.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.3 p -99.11 121.95 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.854 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.86 115.28 22.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -118.26 -126.29 3.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -136.53 149.44 48.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.11 152.9 96.13 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -64.01 165.9 17.89 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.35 2.034 . . . . 0.0 112.312 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.49 -17.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.14 133.29 36.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.55 ' HB3' ' HD3' ' B' ' 85' ' ' PRO . . . -74.95 -48.81 4.48 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.674 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' B' ' 84' ' ' ALA . 52.5 Cg_exo -55.19 135.98 71.31 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.291 1.994 . . . . 0.0 112.354 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -114.77 -7.2 12.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -85.98 -26.66 25.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 59.73 -177.57 0.09 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.003 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.006 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mtp . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.49 HG21 ' HG3' ' A' ' 4' ' ' GLU . 31.1 m -105.58 -17.91 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.028 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.0 tptm 58.97 96.28 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.041 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.49 ' HG3' HG21 ' A' ' 2' ' ' VAL . 41.8 mt-10 -113.74 135.87 53.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.784 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.2 m -123.72 150.31 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.347 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -153.5 -24.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.595 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 p -120.02 130.96 24.58 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.797 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.4 130.81 24.7 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.367 2.044 . . . . 0.0 112.365 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -137.2 -34.06 0.73 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.3 tt -85.37 -36.2 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.9 p -89.3 139.64 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.17 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -141.05 145.24 35.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.4 t -94.78 114.4 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.273 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.3 m -147.27 -58.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.994 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -93.5 133.67 36.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.763 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.4 t -111.86 -40.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.289 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.7 ttm 58.35 98.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.7 m -59.4 140.3 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.57 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.28 160.84 13.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.761 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.61 139.49 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.382 . . . . 0.0 111.315 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.14 -34.7 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.276 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -113.98 131.47 56.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 110.674 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -132.76 144.31 50.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.107 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.7 m -117.63 -4.16 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.98 -15.83 0.26 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.52 -85.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.406 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -140.91 -174.95 4.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.2 102.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.638 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.7 m -103.17 134.58 46.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.941 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.402 ' N ' HD13 ' A' ' 34' ' ' LEU . 7.3 mp -71.32 116.16 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.3 pp -119.91 172.8 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.191 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.7 t -105.27 148.62 26.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.321 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.07 148.75 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -86.57 126.49 34.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.91 119.49 3.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.588 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -107.28 113.97 27.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 110.75 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.503 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 11.7 mmpt? -80.54 178.82 8.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.08 -87.07 0.54 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.058 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.514 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 47.0 t -58.7 136.28 57.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.995 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 65.5 mtt -145.96 119.84 9.32 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.861 0.362 . . . . 0.0 111.267 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' HG2' HD12 ' B' ' 73' ' ' ILE . 32.1 mt-10 -67.79 153.01 44.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.851 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.5 m -136.59 139.58 29.73 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.025 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 70.5 Cg_endo -101.78 154.55 0.35 Allowed 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.211 2.607 . . . . 0.0 112.639 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.37 148.62 97.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.17 -48.8 0.33 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.435 2.09 . . . . 0.0 112.632 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -149.86 153.27 36.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.972 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.78 141.52 55.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.669 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -164.03 -167.03 23.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.915 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.9 t -135.59 129.75 49.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.754 0.311 . . . . 0.0 110.476 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.0 t -71.4 101.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -100.17 -39.87 7.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -149.19 108.34 3.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -65.47 170.83 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.0 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -128.62 -38.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 t -118.58 162.76 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.747 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -111.56 147.53 35.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.677 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.2 t -62.8 120.93 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.62 -6.26 14.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -104.34 125.8 50.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -55.12 157.03 3.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.993 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.3 p -114.51 159.58 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.233 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -141.33 157.57 45.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.692 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.8 p -64.34 132.76 51.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.33 -13.23 67.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.561 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.4 t -89.52 142.29 27.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.432 HD23 HD13 ' A' ' 73' ' ' ILE . 7.3 mp -79.09 165.84 22.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 72' ' ' MET . 19.7 pt -126.24 -47.79 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.577 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.46 ' N ' HG13 ' A' ' 71' ' ' ILE . 19.5 ptp -165.67 145.05 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.693 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.463 HD12 ' HG2' ' B' ' 45' ' ' GLU . 8.9 mm -106.68 133.03 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 111.265 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.442 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 55.9 m-85 -107.69 161.34 14.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.879 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 28.6 tt0 -129.78 92.1 3.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.192 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 p -94.15 116.87 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -114.69 43.89 1.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.677 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 56.05 -124.86 35.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.411 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.41 130.99 35.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.54 153.02 89.76 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.85 -28.67 24.53 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.417 2.078 . . . . 0.0 112.222 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.51 -62.81 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.06 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.93 149.04 50.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -113.34 96.61 40.23 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.51 112.87 2.27 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.365 2.043 . . . . 0.0 112.023 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -159.69 11.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -130.21 -16.94 3.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.014 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 57.75 -169.38 0.11 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.92 179.866 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.813 0.34 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 t -86.3 126.47 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.037 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -96.18 127.48 42.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -121.35 154.4 36.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 26.8 m -118.37 144.31 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 16.2 m120 58.99 98.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 29.9 m -59.77 132.52 89.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.133 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.01 135.99 54.3 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.503 2.135 . . . . 0.0 112.438 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -90.84 112.78 24.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.764 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 45.1 pt -97.88 153.21 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.304 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 38.4 t -100.97 -48.31 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -115.48 150.25 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 57.3 t -75.72 131.95 34.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 57.2 m -61.31 -44.08 97.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -82.53 111.36 18.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.779 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 p -91.18 -32.84 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 46.5 tpp -92.13 118.82 31.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.791 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 25.5 t -111.46 -45.93 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.047 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 59.87 96.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.946 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -105.86 118.63 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.002 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.2 69.06 0.85 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.615 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -86.68 140.58 29.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.672 0.272 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 59.76 106.01 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 44.0 t -87.4 110.46 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.02 119.72 33.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.43 132.43 43.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -146.06 -7.13 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.804 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -108.85 14.32 24.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 78.4 p -59.02 167.32 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.9 tp 60.89 102.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.07 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 8.0 tp -139.35 143.42 31.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.065 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 73.5 p -97.26 169.74 9.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.288 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.3 t 59.0 97.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.371 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -121.39 -13.58 8.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.74 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.74 -4.91 4.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.346 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -74.58 129.37 37.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.806 0.336 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -93.56 -13.67 27.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.827 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.41 -79.51 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.271 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.511 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 45.0 t -59.59 133.31 55.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.973 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 66.7 mtt -139.18 124.57 19.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.015 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.463 ' HG2' HD12 ' A' ' 73' ' ' ILE . 34.2 mt-10 -72.38 152.15 42.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.442 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 24.9 m -134.34 138.87 31.24 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.371 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 64.3 Cg_endo -101.73 155.83 0.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.233 2.622 . . . . 0.0 112.471 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.23 148.39 98.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.52 -47.98 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.354 2.036 . . . . 0.0 112.857 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -150.04 154.69 38.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.99 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.59 141.36 58.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.268 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.75 -159.72 12.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.495 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.4 t -137.67 133.33 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.75 0.31 . . . . 0.0 111.259 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.3 t -73.01 102.29 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -100.26 -40.23 7.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -149.13 109.29 4.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -65.6 171.83 3.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -129.19 -38.79 1.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 t -118.51 164.13 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.743 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -112.48 148.23 34.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.752 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.52 120.06 9.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.98 -6.58 13.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.601 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -103.58 126.58 50.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' B' ' 64' ' ' LYS . 0.0 OUTLIER -55.78 156.36 5.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.091 -179.74 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.0 p -112.67 160.81 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.098 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -143.68 159.69 42.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.821 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 77.0 p -66.6 131.0 45.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.2 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.87 -12.37 65.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.496 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 46.1 t -90.67 143.43 26.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.42 HD13 ' N ' ' B' ' 70' ' ' LEU . 7.6 mp -80.74 166.25 21.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.736 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.449 HG13 ' N ' ' B' ' 72' ' ' MET . 21.0 pt -127.1 -46.25 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.546 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.449 ' N ' HG13 ' B' ' 71' ' ' ILE . 20.3 ptp -168.07 143.96 3.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.885 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.449 HD12 ' HG2' ' A' ' 45' ' ' GLU . 5.6 mm -105.17 139.72 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.72 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 43' ' ' SER . 47.3 m-85 -115.42 159.28 21.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.292 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 20.7 tt0 -127.08 92.41 3.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.883 0.373 . . . . 0.0 110.327 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -90.86 117.04 33.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.795 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -128.15 -22.6 3.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 121.82 -66.76 0.46 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.451 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -153.02 135.26 14.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.337 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.53 151.83 56.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.22 -3.28 13.57 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.455 2.104 . . . . 0.0 112.291 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.39 111.03 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.61 -179.51 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.35 154.61 66.34 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.16 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -66.98 -63.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.393 2.062 . . . . 0.0 112.342 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -170.2 -68.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.381 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -84.32 107.59 16.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.143 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -146.11 -11.85 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.964 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 ttp . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.0 m -95.34 155.86 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.054 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.2 tptp 60.04 99.29 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.969 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -128.73 87.56 2.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.084 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.461 HG13 HG22 ' A' ' 7' ' ' VAL . 42.7 t 64.15 144.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.325 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -107.41 105.32 15.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.461 HG22 HG13 ' A' ' 5' ' ' VAL . 59.8 t -135.2 128.45 18.44 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.61 158.21 58.68 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.185 1.923 . . . . 0.0 112.022 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -128.72 90.17 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.2 pt -139.8 168.06 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.2 t -120.97 -72.2 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -142.51 136.73 29.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.468 HG13 HG22 ' A' ' 18' ' ' THR . 24.9 t -67.91 -70.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.468 HG22 HG13 ' A' ' 17' ' ' VAL . 45.3 p -134.76 153.53 51.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -86.3 -38.01 17.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.141 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.4 m 42.92 -162.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.977 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.4 -1.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.4 t -75.47 -54.41 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.183 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -71.53 -72.64 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.023 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.4 m -74.93 157.32 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.166 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.18 147.83 19.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.464 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -118.31 125.2 49.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.742 0.306 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -131.05 94.6 3.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.78 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.4 t -127.65 -64.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.67 147.08 27.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.078 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.78 -60.54 0.09 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 59.13 -172.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 58.58 15.95 3.97 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.0 m -154.82 166.08 34.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.822 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.3 mt -102.54 -78.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.9 tt -170.31 -29.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.347 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -141.26 141.39 33.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.248 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -81.47 112.64 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -63.41 -64.26 0.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.04 -112.34 0.84 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -137.97 145.55 42.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -74.33 -169.87 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.754 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -112.15 135.13 53.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.567 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.9 p -143.24 146.79 33.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.858 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 26.3 mmt -128.78 121.8 29.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.918 0.389 . . . . 0.0 111.409 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' HB3' HD22 ' B' ' 70' ' ' LEU . 2.3 mp0 -79.17 146.75 32.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.677 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.6 m -129.89 150.42 75.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -101.3 166.75 0.35 Allowed 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 123.202 2.601 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.51 141.67 52.9 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.81 -49.92 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.42 2.08 . . . . 0.0 112.437 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -145.47 151.41 38.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' B' ' 66' ' ' LYS . . . -62.46 126.38 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.03 -178.03 23.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.548 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.418 HG13 ' HD3' ' B' ' 64' ' ' LYS . 63.9 t -116.4 119.98 63.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.781 0.324 . . . . 0.0 110.645 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.9 t -71.57 126.46 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.001 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -143.39 -39.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.286 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -127.52 100.06 5.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.961 0.41 . . . . 0.0 111.366 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -71.19 162.45 29.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.818 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -134.08 5.91 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.5 m -142.43 147.9 20.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.206 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -110.35 150.93 28.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.795 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.77 120.4 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.464 ' H ' HG12 ' B' ' 54' ' ' VAL . . . 95.19 4.16 61.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.416 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -98.1 125.69 43.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 111.05 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HD3' HG13 ' B' ' 53' ' ' VAL . 34.9 mmtp -51.75 155.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.167 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -142.02 144.74 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.001 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -137.56 161.8 35.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.4 p -58.05 142.51 46.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.55 -25.32 19.05 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.645 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.7 m -79.28 136.61 37.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.747 0.308 . . . . 0.0 111.055 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.45 HD22 ' HB3' ' B' ' 45' ' ' GLU . 76.0 mt -68.24 128.26 35.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.736 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.441 HG13 ' N ' ' A' ' 72' ' ' MET . 21.8 pt -93.51 -46.96 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.448 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.441 ' N ' HG13 ' A' ' 71' ' ' ILE . 50.5 ttm -167.49 149.67 5.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.738 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.8 mt -116.97 131.26 70.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.057 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -105.76 156.83 17.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.237 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -98.92 93.0 5.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.559 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 p -107.58 117.15 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.237 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -77.31 123.98 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -87.06 -133.56 3.79 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.599 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.57 152.4 23.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.805 0.336 . . . . 0.0 111.17 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.89 151.33 97.04 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.81 120.88 8.85 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.482 2.122 . . . . 0.0 112.346 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -136.86 178.61 6.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.974 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.57 -173.41 4.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 56.06 78.01 0.4 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -79.2 -16.18 12.42 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.521 2.147 . . . . 0.0 112.429 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.94 -177.19 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.25 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 64.07 115.61 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.363 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -94.4 -33.98 12.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.844 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.133 -0.937 . . . . 0.0 111.062 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.6 p -135.28 126.11 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.559 ' HE3' ' HA ' ' B' ' 3' ' ' LYS . 0.0 OUTLIER -111.29 -49.59 3.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.511 179.655 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 57.75 94.12 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.152 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 m 34.34 86.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.445 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -159.39 128.96 5.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.781 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 p -103.01 130.65 23.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.27 145.64 12.16 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.485 2.123 . . . . 0.0 112.176 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -165.25 -17.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -126.26 106.27 15.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.033 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -106.21 145.45 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -134.19 3.64 3.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 47.5 t -73.84 -72.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.145 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 86.4 m 61.73 103.78 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.179 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.13 140.5 56.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.797 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 25.8 m -64.84 147.01 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 25.0 ttt -162.5 -42.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.678 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 28.4 m -130.42 170.47 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.417 ' N ' ' HD2' ' B' ' 23' ' ' LYS . 0.3 OUTLIER -84.24 125.84 32.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.695 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -123.37 93.08 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.73 173.0 31.79 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.569 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -108.01 161.68 14.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.786 0.327 . . . . 0.0 110.985 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -111.65 148.37 33.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 42.5 t -75.12 -29.31 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.28 179.85 8.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.31 118.26 36.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.65 131.97 34.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.996 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -130.61 -32.72 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.739 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -146.19 165.51 28.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.765 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 62.2 mt -112.76 146.84 38.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.733 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 70.9 mt -77.69 127.96 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 48.5 m 59.99 100.29 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 31.5 m -134.92 -36.38 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.192 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -166.88 102.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.44 170.54 13.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.51 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -66.76 147.31 53.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.731 0.3 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -138.6 58.06 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.78 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -174.03 119.81 0.27 Allowed 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.039 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.8 p -135.91 142.47 44.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.653 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 26.3 mmt -121.71 129.04 52.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.927 0.394 . . . . 0.0 111.102 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.45 ' HB3' HD22 ' A' ' 70' ' ' LEU . 2.4 mp0 -85.44 148.51 25.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.581 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 72' ' ' MET . 35.0 m -130.56 149.78 74.46 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.262 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -101.44 166.69 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.228 2.618 . . . . 0.0 112.53 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.46 141.37 52.75 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.82 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.9 -49.0 1.62 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.429 2.086 . . . . 0.0 112.525 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -146.4 152.84 39.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.43 129.21 39.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.284 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -156.07 -173.78 25.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.202 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.468 HG13 ' HD3' ' A' ' 64' ' ' LYS . 58.7 t -116.49 124.79 73.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.018 0.437 . . . . 0.0 111.503 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 62' ' ' GLY . 83.3 t -74.13 127.44 35.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.865 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -144.63 -38.56 0.28 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.462 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -127.94 100.11 5.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.844 0.354 . . . . 0.0 111.305 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -71.64 162.36 29.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.669 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -133.35 3.39 3.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.986 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 28.9 m -139.46 149.06 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.228 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -111.47 150.63 29.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.639 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.61 119.73 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.92 1.69 59.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.281 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -95.67 130.36 42.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.734 0.302 . . . . 0.0 110.816 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.418 ' HD3' HG13 ' A' ' 53' ' ' VAL . 34.7 mmtp -56.77 155.41 7.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.0 p -140.66 145.79 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 51' ' ' ALA . 97.2 mttt -139.73 162.22 35.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 72.6 p -58.33 140.9 52.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.261 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.98 -23.03 31.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.599 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 63.3 m -81.19 135.96 35.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.95 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.478 HD22 ' HB3' ' A' ' 45' ' ' GLU . 71.8 mt -67.93 127.9 34.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.723 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.442 HG13 ' N ' ' B' ' 72' ' ' MET . 20.2 pt -93.22 -46.9 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.377 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.442 ' N ' HG13 ' B' ' 71' ' ' ILE . 49.7 ttm -168.47 148.83 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 15.5 mt -114.06 137.37 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.662 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -113.13 150.93 31.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.979 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -93.33 92.02 7.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.899 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.6 p -105.42 117.68 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.19 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.82 138.05 35.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.09 -118.15 2.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.57 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.02 118.48 23.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 0.0 111.058 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.92 146.14 33.21 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.23 -29.91 4.64 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.411 2.074 . . . . 0.0 112.483 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.45 -55.59 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.332 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 60.7 -179.27 0.1 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -128.8 81.33 71.01 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.425 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.77 140.31 32.02 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.6 2.2 . . . . 0.0 112.153 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.01 143.27 56.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -89.89 -40.19 12.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -108.29 -74.98 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.93 179.841 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtm . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.617 0.246 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 50.6 t 61.93 -84.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt 59.62 106.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.367 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -61.45 125.4 23.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.707 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.0 t -78.24 -63.46 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.164 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -108.6 142.72 38.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.9 m -83.31 154.35 66.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.017 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.85 161.84 4.32 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.5 2.133 . . . . 0.0 112.347 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -87.78 148.27 24.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.2 tt -75.44 153.39 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 p 44.7 26.49 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.854 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -100.64 -64.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.87 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.0 t -105.92 106.78 21.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.8 m -97.46 129.76 44.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.34 4.73 4.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.775 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.1 t -99.29 134.93 36.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.839 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 96.0 mmm -90.39 140.02 30.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.4 t -101.22 -76.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt 56.79 95.31 0.02 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.927 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -79.61 -63.76 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.302 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.51 125.26 8.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.734 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -107.54 117.16 33.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.662 0.268 . . . . 0.0 110.549 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -131.94 108.16 9.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.4 t -135.22 -30.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.649 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.63 164.18 30.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 61.23 107.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.252 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -94.43 -45.87 7.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.729 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -70.98 123.79 22.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.8 p -98.79 15.37 25.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.049 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.2 tp 61.28 101.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.525 HG13 ' H ' ' A' ' 37' ' ' VAL . 37.6 pt -102.41 -15.32 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.331 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.2 p 51.79 22.58 1.74 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.56 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.525 ' H ' HG13 ' A' ' 35' ' ' ILE . 65.0 t -88.69 116.55 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -134.24 -67.15 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.796 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -161.43 -139.25 2.61 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.355 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -132.08 116.16 16.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.85 0.357 . . . . 0.0 110.81 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -116.99 134.26 54.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -148.18 142.52 26.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.0 m -140.89 146.25 37.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.993 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.8 tpt -126.48 119.41 27.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.957 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HG3' HG12 ' B' ' 73' ' ' ILE . 2.8 mp0 -78.97 139.89 38.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.704 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.428 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 34.7 m -117.75 143.34 32.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.847 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 53.1 Cg_endo -101.91 161.72 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.264 2.643 . . . . 0.0 112.613 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.14 141.15 70.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.198 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.74 -42.01 1.92 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.472 2.114 . . . . 0.0 112.551 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.59 150.64 33.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.981 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.57 153.25 32.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.574 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.432 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . 174.1 163.25 27.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.181 -1.009 . . . . 0.0 113.171 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.86 132.9 41.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.744 0.306 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 88.3 t -74.37 125.35 33.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -117.65 -52.32 2.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -137.1 118.55 14.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -73.73 165.58 24.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' HG2' ' HB2' ' A' ' 70' ' ' LEU . 28.2 tptp -110.25 -44.42 3.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -122.86 154.77 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.525 HD21 ' N ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -94.21 151.1 19.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.813 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.1 t -57.24 122.45 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.012 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.75 0.51 32.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.39 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -104.29 124.83 49.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.876 0.369 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -54.37 173.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.39 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.73 161.18 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -143.96 153.3 42.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.5 p -61.61 126.85 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.82 -7.21 52.81 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.557 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.3 m -103.12 136.86 42.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.75 0.31 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.448 ' HB2' ' HG2' ' A' ' 58' ' ' LYS . 64.6 mt -64.5 167.01 7.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.793 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.4 pt -136.29 -33.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.626 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 55.4 tpp -166.1 158.46 14.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.89 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.412 HG12 ' HG3' ' B' ' 45' ' ' GLU . 23.5 mt -128.86 128.68 67.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.432 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 90.0 m-85 -109.0 154.19 22.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 111.852 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -94.72 95.85 9.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.777 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.89 118.94 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.511 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.42 124.39 22.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.78 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 176.61 -161.91 30.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.444 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.73 117.08 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 111.351 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.93 147.45 51.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.836 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.74 -30.04 54.76 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.457 2.104 . . . . 0.0 112.413 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.0 113.55 7.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.963 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -146.12 126.92 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -131.6 91.35 34.36 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.304 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.45 116.58 3.98 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.542 2.161 . . . . 0.0 112.214 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.13 4.8 39.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -68.73 143.93 54.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -74.17 110.81 8.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.006 -179.883 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 82.9 mtp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.69 0.281 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.0 t -114.27 -44.14 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.05 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -66.4 -30.31 70.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -103.25 139.61 38.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.936 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.4 t -104.0 -53.56 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.794 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 61.43 107.38 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.388 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 46.6 t -122.57 123.59 26.96 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.07 152.37 24.36 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.414 2.076 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.1 t70 58.54 100.86 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.323 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 31.1 pt -140.73 139.81 34.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.371 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 10.2 p -77.32 -27.67 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.045 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -87.97 104.8 16.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.92 -64.53 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.768 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.514 ' HG1' ' H ' ' B' ' 19' ' ' GLU . 81.1 p -104.5 -51.65 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.003 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.514 ' H ' ' HG1' ' B' ' 18' ' ' THR . 44.5 mt-10 -139.64 166.06 25.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.728 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 20.3 t -65.97 138.88 22.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.109 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 48.5 tpp -104.73 -64.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -106.55 151.3 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.431 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -121.37 -33.38 3.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m -109.61 145.53 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.167 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.14 174.88 23.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.462 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -71.65 120.41 17.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -124.25 -170.43 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.677 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 44.7 t -79.47 125.36 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.967 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.87 144.26 26.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 176.46 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.153 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.91 168.6 19.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -88.63 128.98 35.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 80.8 p -120.31 176.31 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.555 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -118.37 -176.74 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.96 179.888 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 44.2 mm -60.53 -78.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 56.9 m -159.46 -64.38 0.08 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 p -158.42 140.61 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.829 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -107.47 -20.09 13.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.36 172.56 26.56 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.729 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -130.02 153.16 48.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -137.58 28.21 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -170.08 121.09 0.64 Allowed 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.973 0.416 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 56.7 m -133.63 141.74 47.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.849 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 17.3 tpt -119.25 123.83 45.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.412 ' HG3' HG12 ' A' ' 73' ' ' ILE . 3.1 mp0 -82.59 140.57 33.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.761 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -118.0 142.89 31.68 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.09 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -101.29 166.21 0.35 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.021 2.48 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.72 141.0 55.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.74 -41.65 2.1 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.28 1.987 . . . . 0.0 112.396 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -150.19 152.71 35.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.979 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.48 148.49 50.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.108 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 177.16 168.63 37.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.259 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 33.3 t -97.86 137.46 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 111.382 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.5 t -78.14 124.42 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.812 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -117.43 -54.16 2.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.289 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.04 120.7 19.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.047 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -75.74 166.38 23.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.538 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . 0.466 ' HG2' ' HB2' ' B' ' 70' ' ' LEU . 28.3 tptp -110.93 -44.29 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -123.73 152.45 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.254 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.534 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.9 OUTLIER -91.98 151.31 20.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.883 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 61.7 t -57.68 122.23 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.12 -1.61 29.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.436 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -102.22 128.19 48.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 110.817 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -57.26 175.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 p -138.46 160.24 31.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -144.66 154.15 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.072 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 75.4 p -61.81 126.4 27.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.256 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.23 -6.2 53.25 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 64.8 m -103.65 135.87 44.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.334 . . . . 0.0 111.013 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.466 ' HB2' ' HG2' ' B' ' 58' ' ' LYS . 68.5 mt -65.12 165.29 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 25.7 pt -134.5 -34.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.677 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 54.5 tpp -165.1 157.51 15.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.774 0.321 . . . . 0.0 111.035 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.412 HG12 ' HG3' ' A' ' 45' ' ' GLU . 16.8 mt -127.33 131.72 70.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.301 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -111.92 152.68 27.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 111.206 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -93.34 92.71 7.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.264 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.6 p -111.17 123.64 67.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.41 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.34 107.55 4.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.663 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -84.74 2.49 88.08 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.701 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.71 119.88 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 0.0 111.074 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.57 149.15 97.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.157 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.13 -179.99 4.44 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.375 2.05 . . . . 0.0 112.0 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.87 114.89 18.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.03 107.62 10.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.197 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.437 ' N ' ' HD2' ' B' ' 85' ' ' PRO . . . -68.93 -50.34 22.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.548 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' B' ' 84' ' ' ALA . 72.8 Cg_endo -76.03 108.3 2.65 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.092 1.861 . . . . 0.0 112.127 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.24 121.07 25.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.236 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt 65.0 148.5 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.173 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 62.3 104.51 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.089 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.931 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.4 mtm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.0 m -89.45 -37.81 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.243 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -101.66 -177.88 3.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.871 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -92.51 173.47 7.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -82.41 117.19 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 58.65 -178.82 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.021 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 32.6 m -136.52 148.71 64.92 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.85 159.57 48.18 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.307 2.005 . . . . 0.0 112.157 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -133.83 146.14 50.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.053 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.0 mm -100.68 118.58 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 p -67.96 138.62 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -166.5 163.46 17.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -134.9 11.04 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.055 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.0 m -74.63 -40.24 61.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 60.86 105.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.339 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -123.73 139.84 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.22 -50.4 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.756 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.0 t 64.82 123.16 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.325 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HE3' ' HA ' ' A' ' 27' ' ' LYS . 88.0 tttt 60.85 101.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.1 t -125.81 -34.18 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.168 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.77 -99.41 2.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.692 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -55.0 145.35 20.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.839 0.352 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 3.7 mppt? -107.66 -80.48 0.57 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.2 m -141.01 -10.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.44 133.9 56.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.161 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.7 6.22 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -93.62 158.19 15.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -106.84 -53.32 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.1 t -143.43 131.44 21.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 34' ' ' LEU . 6.2 mp -100.0 10.89 40.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.705 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp -127.09 174.22 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.4 p -130.3 155.46 46.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.6 m -89.57 146.45 6.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.141 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -162.28 113.88 1.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.783 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.65 49.37 0.87 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.604 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -144.33 128.93 18.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 11.8 mptt -88.57 105.67 17.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.687 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.02 -85.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.434 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' B' ' 74' ' ' PHE . 47.3 m -57.19 113.19 1.62 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.754 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.7 ttt -122.71 119.62 31.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.311 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.497 ' HG2' HD11 ' B' ' 73' ' ' ILE . 28.4 mt-10 -72.05 141.7 49.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.566 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.2 m -128.04 147.48 63.41 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.273 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -101.73 153.62 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.282 2.655 . . . . 0.0 112.562 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.82 147.38 93.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.762 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -64.16 -52.62 1.51 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.398 2.066 . . . . 0.0 112.435 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -149.69 154.4 38.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.997 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.35 138.03 57.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.395 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.488 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -164.86 -172.74 32.69 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.095 -179.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.3 t -120.21 125.97 74.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.722 0.296 . . . . 0.0 110.397 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.4 t -71.61 102.42 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.982 0.42 . . . . 0.0 111.212 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 19.0 ptpt -83.03 -45.83 13.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.997 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 40.2 tt0 -163.84 119.03 1.58 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.817 0.342 . . . . 0.0 111.152 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.78 150.11 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.954 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -118.4 -5.61 10.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.812 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.7 m -123.9 146.45 29.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.052 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -108.86 149.16 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.666 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.2 t -63.1 120.66 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.15 -21.86 36.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.393 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -77.79 110.27 12.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.742 0.306 . . . . 0.0 111.007 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -48.97 151.18 1.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.426 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -114.67 160.07 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -141.55 147.16 37.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.783 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.7 m -63.67 123.43 18.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.155 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.46 -16.56 26.65 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.823 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.1 p -87.99 158.3 18.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.777 0.323 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.19 147.14 31.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 72' ' ' MET . 19.6 pt -118.51 -44.42 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.43 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.428 ' N ' HG13 ' A' ' 71' ' ' ILE . 50.2 ttm -168.49 149.25 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.656 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.514 HD11 ' HG2' ' B' ' 45' ' ' GLU . 6.5 mm -113.55 134.6 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.153 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.488 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 57.4 m-85 -114.55 133.49 55.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.171 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 33.6 tt0 -98.62 92.84 5.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.159 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p -92.02 117.55 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.09 0.471 . . . . 0.0 111.239 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -78.86 149.47 32.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.825 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.72 170.93 46.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.645 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.24 151.47 26.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.353 . . . . 0.0 111.16 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.49 125.25 60.35 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.298 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.23 -31.65 93.3 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.519 2.146 . . . . 0.0 112.382 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.63 -46.38 59.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.0 142.87 50.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.291 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.505 ' H ' ' HD2' ' A' ' 85' ' ' PRO . . . -167.83 -51.97 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.497 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.505 ' HD2' ' H ' ' A' ' 84' ' ' ALA . 88.8 Cg_endo -80.16 178.1 7.53 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.114 1.876 . . . . 0.0 112.215 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.4 -18.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.249 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -78.11 -39.32 41.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.009 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 40.91 30.82 0.11 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.599 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.329 -0.844 . . . . 0.0 110.883 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.559 ' HG3' HG22 ' B' ' 2' ' ' VAL . 17.4 tpt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.695 0.283 . . . . 0.0 110.716 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.559 HG22 ' HG3' ' B' ' 1' ' ' MET . 49.2 t 58.99 93.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.898 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -104.13 127.5 51.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.84 153.57 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -125.42 -179.67 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -107.31 -7.34 16.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.078 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m -111.34 150.7 42.46 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.64 158.72 31.21 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.502 2.135 . . . . 0.0 112.126 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -135.24 -13.82 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.8 mt -93.89 123.04 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.052 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.9 m -130.54 2.84 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -97.74 141.22 31.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -92.19 177.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.1 p -85.8 179.49 7.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -81.48 145.98 30.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.95 137.59 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.214 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 25.5 mmt -105.39 -76.6 0.6 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.586 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 18.0 m 39.84 -158.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 O-C-N 123.67 0.606 . . . . 0.0 112.365 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -112.94 170.02 8.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.707 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 43.7 t -105.45 137.97 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.26 52.65 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.644 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.14 115.34 6.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.727 0.299 . . . . 0.0 110.673 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -138.98 -70.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.106 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 34.4 m -95.96 -1.03 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.348 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.48 5.78 40.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.04 123.23 36.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.091 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -96.17 111.67 23.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -104.6 -27.59 11.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 85.9 p 48.99 85.01 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.25 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 64.1 tp -115.56 115.14 25.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.771 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 7.2 tp -126.2 142.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.006 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 68.1 p -129.9 -43.31 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -168.05 144.99 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -117.24 -62.62 1.55 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.694 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.34 122.57 12.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.392 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -93.84 143.3 26.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 111.059 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 54.03 76.71 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.283 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.02 -79.77 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.739 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' ' 74' ' ' PHE . 51.0 m -62.77 108.5 1.19 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.826 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 22.3 ttt -113.55 125.8 54.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.514 ' HG2' HD11 ' A' ' 73' ' ' ILE . 32.5 mt-10 -78.88 139.88 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.548 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 15.4 m -124.89 146.17 52.41 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.585 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 77.0 Cg_endo -101.53 154.81 0.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.332 2.688 . . . . 0.0 112.382 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.25 145.82 98.0 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.4 -53.59 1.8 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.429 2.086 . . . . 0.0 112.415 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -148.82 158.83 44.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.872 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.75 134.06 50.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.443 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . -163.18 -164.35 18.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 t -123.06 130.38 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 111.02 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.68 104.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' B' ' 56' ' ' GLU . 18.8 ptpt -84.62 -46.94 11.02 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' B' ' 55' ' ' LYS . 39.3 tt0 -162.87 119.78 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -58.34 150.23 22.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -118.52 -5.28 10.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 26.1 m -123.94 146.31 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -108.98 149.44 29.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.719 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 35.3 t -63.06 119.8 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.21 -22.73 32.29 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.611 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -76.9 113.6 14.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.705 0.288 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -52.09 149.55 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.459 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 p -111.77 161.84 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.824 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -144.41 149.35 35.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.937 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 19.6 m -65.49 122.53 17.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.32 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.89 -16.37 25.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.591 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 96.0 p -88.07 157.43 18.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.896 0.379 . . . . 0.0 111.069 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.409 HD13 ' N ' ' B' ' 70' ' ' LEU . 7.4 mp -80.08 147.04 31.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.424 HG13 ' N ' ' B' ' 72' ' ' MET . 20.1 pt -118.3 -45.32 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.289 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.424 ' N ' HG13 ' B' ' 71' ' ' ILE . 49.7 ttm -168.69 148.43 4.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.497 HD11 ' HG2' ' A' ' 45' ' ' GLU . 4.5 mm -111.49 139.38 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.819 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.443 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 53.3 m-85 -120.77 129.06 53.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.941 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 31.4 tt0 -94.11 92.99 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.0 117.54 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.194 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -81.34 175.51 10.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -96.38 67.94 0.97 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.431 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -121.02 133.52 55.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.1 149.1 65.65 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.53 123.1 7.34 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.443 2.096 . . . . 0.0 112.534 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -164.21 -57.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -145.94 161.03 40.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.32 150.56 97.82 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.108 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.1 159.98 49.55 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.549 2.166 . . . . 0.0 112.35 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -147.42 108.41 4.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -134.99 105.01 6.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -149.81 -27.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.31 -0.853 . . . . 0.0 110.937 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.38 135.33 27.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.77 157.85 16.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -106.31 -10.24 16.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.01 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.51 -57.3 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.804 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -121.25 102.08 8.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.718 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.3 t -71.28 131.22 86.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.219 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.78 138.96 24.33 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.335 2.024 . . . . 0.0 112.245 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -107.97 140.12 41.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.551 HG21 HG11 ' A' ' 15' ' ' VAL . 4.5 mp -84.71 -67.74 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.551 HG11 HG21 ' A' ' 10' ' ' ILE . 20.9 m -140.84 -7.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.49 159.95 14.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.9 t -122.84 108.02 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 83.6 m 65.5 133.13 0.02 OUTLIER 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.302 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.34 -54.13 28.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -75.81 133.93 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -70.16 132.36 45.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.72 -20.25 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.181 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -133.29 -5.29 3.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.009 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.6 t -82.36 109.94 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.26 -149.97 21.94 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.591 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -134.91 150.83 50.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.59 ' HG2' HG21 ' A' ' 28' ' ' VAL . 64.1 tttp -125.16 126.66 45.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.752 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.59 HG21 ' HG2' ' A' ' 27' ' ' LYS . 65.2 t 63.89 114.83 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.327 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -141.97 -22.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.278 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.75 -14.05 7.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.234 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -92.09 134.62 34.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -161.48 156.72 23.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.203 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.3 p 47.42 -96.02 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.598 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.9 tp -170.45 -8.05 0.01 OUTLIER 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.657 0.265 . . . . 0.0 111.041 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.8 pt -54.42 140.94 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.202 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.1 p -132.46 -25.68 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.06 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.9 p -92.41 141.8 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -117.27 115.33 25.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.6 120.78 0.67 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.395 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -82.03 145.96 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -165.83 116.52 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.717 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HB1' ' O ' ' B' ' 76' ' ' VAL . . . -147.41 -81.64 0.13 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.532 ' HB3' ' HG2' ' B' ' 75' ' ' GLU . 82.8 p -58.45 145.77 37.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.622 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 47.0 tpp -161.72 119.56 2.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.877 0.37 . . . . 0.0 111.165 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.95 140.78 51.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.669 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.444 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 34.0 m -120.91 141.18 32.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.335 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 72.9 Cg_endo -101.61 171.48 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.293 2.662 . . . . 0.0 112.58 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.79 134.69 43.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.77 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -63.64 -52.46 1.84 Allowed 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.393 2.062 . . . . 0.0 112.458 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -141.06 152.09 44.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.16 164.46 6.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 162.7 166.29 21.23 Favored Glycine 0 C--N 1.33 0.202 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.885 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.458 HG21 ' HG2' ' B' ' 64' ' ' LYS . 35.1 t -101.01 130.93 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.822 0.344 . . . . 0.0 110.992 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.0 t -71.67 109.77 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -102.62 -32.89 9.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.838 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -165.67 135.6 3.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.298 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -126.94 163.37 23.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.569 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -121.97 19.36 10.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.254 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.99 147.09 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.197 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -124.98 150.67 46.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.671 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.3 t -62.45 121.13 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.35 -6.07 45.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.544 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -97.48 124.97 41.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 0.0 111.188 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HG2' HG21 ' B' ' 53' ' ' VAL . 95.0 mttt -55.9 174.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.508 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.56 159.24 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.828 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -142.23 154.89 45.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.6 p -63.83 129.96 42.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.12 -6.9 60.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.542 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.1 t -95.15 133.07 39.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.3 mt -69.87 139.32 53.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.779 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.547 HG13 ' H ' ' A' ' 72' ' ' MET . 19.3 pt -106.63 -53.18 6.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.653 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.547 ' H ' HG13 ' A' ' 71' ' ' ILE . 63.9 mtt -148.68 161.11 42.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.862 0.363 . . . . 0.0 111.05 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.6 mt -134.13 124.86 47.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.632 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -103.59 159.13 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 111.258 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HG2' ' HB3' ' B' ' 43' ' ' SER . 1.4 tm-20 -142.15 93.01 2.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.872 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.451 ' O ' ' HB1' ' B' ' 42' ' ' ALA . 7.4 m -86.21 158.74 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.463 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -113.13 8.35 18.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.22 -6.4 81.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.333 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -117.04 131.71 56.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.699 0.285 . . . . 0.0 110.987 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.76 148.33 98.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.506 ' HB3' ' HZ2' ' B' ' 64' ' ' LYS . 39.7 Cg_exo -60.39 138.84 83.33 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.49 2.126 . . . . 0.0 112.285 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.88 -34.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.62 -68.45 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 55.97 92.27 0.06 OUTLIER Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.45 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.58 119.27 6.28 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.401 2.068 . . . . 0.0 112.068 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -159.35 -46.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.977 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.3 tttm 60.23 17.62 7.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 63.96 118.4 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.277 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.951 179.784 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.6 ttm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.751 0.31 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 43.9 t -58.86 -29.09 39.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 59.44 99.41 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.478 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.12 -178.21 5.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.759 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.1 t -80.31 116.11 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.01 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -88.28 114.34 24.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -116.05 132.36 23.28 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.1 142.31 30.73 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.333 2.022 . . . . 0.0 112.465 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -90.84 147.33 23.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 37.5 pt -125.51 153.25 33.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -160.05 140.32 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.037 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -110.8 127.64 55.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 49.5 t -71.13 118.4 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 65.0 p 48.33 87.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.74 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' B' ' 19' ' ' GLU . 0.0 OUTLIER -84.52 -171.83 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.746 179.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 m -63.7 146.98 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 51.3 ttm 59.52 98.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.3 m -139.02 -15.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.187 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -123.16 139.49 54.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.99 -50.31 38.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.85 117.65 2.32 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.39 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.61 110.47 5.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.985 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -128.27 -12.23 5.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.688 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 9.6 m 42.86 -163.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.093 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -159.87 116.59 2.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.21 160.3 14.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.255 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -95.59 -8.59 34.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 59.6 104.48 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.181 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 48.2 t -93.02 106.91 18.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.425 ' N ' HD11 ' B' ' 34' ' ' LEU . 6.1 mp -84.92 111.73 19.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 44.8 pt -95.22 -11.53 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 71.3 m 58.94 94.05 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.566 HG22 ' HG3' ' B' ' 38' ' ' GLU . 14.5 p -79.27 146.19 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.566 ' HG3' HG22 ' B' ' 37' ' ' VAL . 43.3 mt-10 61.15 103.37 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.125 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -147.14 -126.37 1.68 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -107.48 141.85 38.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.738 0.304 . . . . 0.0 110.826 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -90.77 19.42 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.613 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . 62.61 -85.66 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.926 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.513 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 80.0 p -61.52 145.27 52.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.296 179.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 47.3 tpp -158.67 122.38 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 111.172 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.15 140.75 45.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.616 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 34.9 m -120.34 140.88 30.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.427 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -101.75 173.15 0.27 Allowed 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.274 2.65 . . . . 0.0 112.362 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.15 134.7 40.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.95 -52.17 1.86 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.279 1.986 . . . . 0.0 112.402 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -141.4 152.51 44.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.72 164.96 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.08 170.27 25.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.562 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.433 HG21 ' HG2' ' A' ' 64' ' ' LYS . 39.6 t -101.72 134.14 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.368 . . . . 0.0 111.372 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.44 109.46 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.251 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -102.24 -36.05 8.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -161.6 141.73 10.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -133.34 162.83 30.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.387 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -122.07 19.59 10.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.219 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 29.5 m -125.89 146.29 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.256 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -124.93 151.28 45.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.644 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.07 120.74 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.42 -8.69 41.12 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.596 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.65 130.85 40.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.506 ' HZ2' ' HB3' ' A' ' 81' ' ' PRO . 95.7 mttt -61.71 176.76 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.089 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.27 159.83 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -143.98 155.65 44.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.968 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 72.3 p -64.74 130.11 42.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.091 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.78 -6.17 60.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.439 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 46.9 t -95.93 132.58 41.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 78.1 mt -69.79 139.02 53.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.514 HG13 ' H ' ' B' ' 72' ' ' MET . 19.6 pt -106.33 -51.73 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.46 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.514 ' H ' HG13 ' B' ' 71' ' ' ILE . 65.1 mtt -150.43 161.96 41.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.896 0.379 . . . . 0.0 111.229 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 39.8 mt -135.25 127.85 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.329 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -107.6 160.29 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.928 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . 0.532 ' HG2' ' HB3' ' A' ' 43' ' ' SER . 1.7 tm-20 -142.79 92.98 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.942 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.472 ' O ' ' HB1' ' A' ' 42' ' ' ALA . 2.7 m -84.47 158.6 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.204 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -115.49 -28.88 6.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.778 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.54 -40.67 2.61 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.57 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.36 139.69 35.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.73 0.3 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.41 145.92 98.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.05 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.81 -43.45 0.84 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.453 2.102 . . . . 0.0 112.291 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -137.7 144.16 41.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.47 112.62 13.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.158 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -147.5 85.07 6.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -73.72 163.2 37.86 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.488 2.126 . . . . 0.0 112.239 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.96 102.41 5.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.037 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -163.55 128.79 3.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -137.91 119.22 14.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.82 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.95 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.885 0.374 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.0 m -100.59 171.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -97.76 43.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.702 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 61.99 20.87 11.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -159.4 139.93 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.094 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -165.26 -8.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.7 m -88.67 151.07 47.33 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.18 129.22 21.16 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.412 2.074 . . . . 0.0 112.306 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -136.06 -49.65 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.0 mt -98.84 119.39 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.1 t -99.51 136.6 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.285 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -123.61 142.33 51.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.804 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.2 p -166.24 142.52 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.6 m -69.78 121.83 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.996 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -129.26 139.87 51.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.042 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -95.66 -42.56 12.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.058 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.7 mtm -101.5 122.38 43.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.8 t -105.82 -64.14 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -152.57 117.71 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.636 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -79.06 -69.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.395 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.16 119.7 5.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.83 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.88 165.51 13.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 110.473 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -76.19 107.18 8.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.765 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.5 m -106.23 -30.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.072 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.25 87.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.143 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -163.43 -175.93 4.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -103.05 138.25 40.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -73.59 -58.2 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.9 t 64.35 125.45 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.457 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -101.45 151.05 22.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.7 tt -89.24 137.15 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -153.58 152.89 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.0 m -94.47 163.36 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -104.8 163.74 12.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.31 -114.41 0.52 Allowed Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.112 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -69.74 144.92 52.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.623 0.249 . . . . 0.0 110.565 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -137.86 -58.28 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -163.6 -83.33 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.506 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 83.3 p -62.48 142.5 57.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.193 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.3 tpp -149.85 119.12 6.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.423 ' HG3' HG12 ' B' ' 73' ' ' ILE . 2.6 mp0 -71.29 154.21 41.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.823 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 35.8 m -127.9 138.29 32.6 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.579 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 64.7 Cg_endo -101.52 159.56 0.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.231 2.621 . . . . 0.0 112.634 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.36 130.89 85.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.82 -37.8 33.31 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.351 2.034 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -150.0 145.87 26.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.4 157.76 22.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.767 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.04 -165.96 38.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.996 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.0 t -120.59 139.01 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.682 0.277 . . . . 0.0 110.783 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.5 t -71.76 108.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.012 0.434 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -66.77 -63.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.039 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -162.35 141.59 9.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.92 132.01 52.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.642 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -120.6 -5.72 9.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.097 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.7 m -135.33 139.74 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 111.096 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.516 HD21 ' N ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -91.03 147.93 22.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.3 t -65.09 127.61 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.43 1.08 60.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.444 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -94.71 106.88 18.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 111.018 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -48.32 148.75 1.77 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.964 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 66' ' ' LYS . 3.4 p -109.73 164.68 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.291 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' H ' HG22 ' A' ' 65' ' ' VAL . 38.6 mtmm -142.06 154.17 44.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.591 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.3 p -65.82 122.37 17.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.117 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.18 -5.03 30.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.679 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.5 p -112.4 122.07 46.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.788 0.327 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.588 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 2.7 pt? -60.69 155.97 17.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 72' ' ' MET . 22.0 pt -117.18 -43.76 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.313 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.433 ' N ' HG13 ' A' ' 71' ' ' ILE . 89.6 mtp -144.06 166.21 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.806 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.406 HG12 ' HG3' ' B' ' 45' ' ' GLU . 36.8 mt -137.12 129.31 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.986 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -109.81 161.67 15.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.459 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 0.8 OUTLIER -130.18 92.75 3.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.028 179.415 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.9 p -102.81 117.62 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.186 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -124.04 100.54 6.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 62.56 -122.36 27.82 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.86 146.39 42.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.689 0.28 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.5 127.0 90.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.01 112.84 1.19 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.425 2.083 . . . . 0.0 112.261 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -163.78 -176.49 4.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.009 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.36 -84.52 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.441 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.67 113.03 25.67 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.15 -178.46 3.24 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.394 2.063 . . . . 0.0 112.314 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -154.5 -21.35 0.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -125.83 -27.47 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.98 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -84.92 -28.61 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.687 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.097 179.851 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.8 tpp . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 120.765 0.317 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t 58.24 93.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -70.02 169.88 12.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.003 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.492 ' HG2' HG22 ' B' ' 5' ' ' VAL . 35.0 tt0 -120.94 150.25 41.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.492 HG22 ' HG2' ' B' ' 4' ' ' GLU . 48.8 t 62.14 109.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.418 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -87.38 -63.5 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m -96.33 147.61 33.23 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.91 139.45 90.9 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.443 2.095 . . . . 0.0 112.478 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -116.16 123.39 47.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.597 ' H ' HD11 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -131.97 8.06 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.18 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 44.4 t -110.03 -73.96 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.154 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -74.55 131.39 40.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -101.86 147.43 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.973 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -72.74 148.69 44.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -79.36 152.98 30.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.726 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 44.3 t -60.17 131.53 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.272 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 27.7 ttt -96.57 137.2 36.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.736 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 17.8 t -92.2 137.13 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.142 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' B' ' 23' ' ' LYS . 0.0 OUTLIER -98.52 -23.09 15.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.824 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 29.6 m -93.99 6.31 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.018 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.76 149.31 6.2 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.625 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.94 129.97 38.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -154.15 156.83 37.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.042 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.9 p -129.7 142.12 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -142.67 -3.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.355 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.29 136.04 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -89.58 143.96 26.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.007 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -69.91 -32.17 70.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.699 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 47.5 t -135.9 137.14 41.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.76 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.418 HD12 ' N ' ' B' ' 34' ' ' LEU . 6.0 mp -93.83 -21.92 18.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.752 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.4 mt -73.6 110.26 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 68.7 p -134.89 -51.26 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.034 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 33.5 m -125.29 175.57 7.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -119.63 150.83 39.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -156.93 99.56 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.444 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.03 144.63 30.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 110.774 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? 61.88 91.64 0.06 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.717 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.27 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.45 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 79.0 p -67.52 136.12 54.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.663 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 51.5 tpp -140.72 122.6 15.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.406 ' HG3' HG12 ' A' ' 73' ' ' ILE . 2.6 mp0 -74.46 153.48 39.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.526 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 26.8 m -126.21 137.74 30.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.971 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.588 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 75.8 Cg_endo -101.44 162.73 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.175 2.583 . . . . 0.0 112.643 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.91 130.39 81.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.86 -38.85 21.78 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.352 2.035 . . . . 0.0 112.488 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -149.05 145.83 27.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.811 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.33 157.51 31.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.19 -162.34 35.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 40.1 t -121.7 139.75 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.878 0.371 . . . . 0.0 111.273 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.56 108.47 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.095 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -66.52 -65.25 0.7 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.042 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -160.97 142.56 11.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.28 132.49 54.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.67 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -120.68 -7.36 9.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.19 139.91 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.113 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.52 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.9 OUTLIER -91.6 147.56 22.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 39.8 t -65.13 126.84 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.36 -0.92 58.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.364 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -93.07 111.16 22.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.68 0.276 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -52.47 149.57 5.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 p -109.2 164.43 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.21 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -143.48 154.88 44.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.784 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 62.3 p -66.52 120.22 13.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.57 -8.9 24.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.636 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 89.6 p -109.68 124.8 51.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.579 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 2.7 pt? -63.75 157.66 23.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.425 HG13 ' N ' ' B' ' 72' ' ' MET . 23.7 pt -118.01 -42.69 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.353 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.425 ' N ' HG13 ' B' ' 71' ' ' ILE . 88.0 mtp -145.91 166.19 26.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.423 HG12 ' HG3' ' A' ' 45' ' ' GLU . 22.6 mt -136.73 134.84 48.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.563 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -115.54 161.27 18.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.955 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 1.0 OUTLIER -129.9 93.49 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.094 179.635 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.64 117.51 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.266 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -127.67 101.84 6.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.023 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.42 63.24 5.18 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.729 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.79 117.74 10.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.38 145.43 30.6 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.281 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' PRO . . . . . 0.418 ' HG2' ' H ' ' B' ' 82' ' ' ALA . 61.3 Cg_endo -74.03 -58.67 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.403 2.069 . . . . 0.0 112.451 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.418 ' H ' ' HG2' ' B' ' 81' ' ' PRO . . . -89.76 159.99 16.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.88 -6.57 32.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.047 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -130.14 144.15 52.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.037 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -83.16 127.83 4.74 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.577 2.184 . . . . 0.0 112.722 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.15 165.14 12.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -75.35 100.35 4.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.662 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -144.14 -45.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.166 -0.921 . . . . 0.0 110.995 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.528 ' HA ' ' HE2' ' A' ' 1' ' ' MET . 30.2 mmt . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.525 HG21 ' H ' ' A' ' 4' ' ' GLU . 9.9 p -96.27 141.46 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.44 19.27 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.686 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.525 ' H ' HG21 ' A' ' 2' ' ' VAL . 20.4 mm-40 58.62 79.57 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.033 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 m -124.12 -3.38 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.743 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -65.04 -36.69 85.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.772 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.7 t -133.87 130.34 20.55 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -56.71 131.99 49.01 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.476 2.117 . . . . 0.0 112.366 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -100.83 141.22 34.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.8 mm 61.57 104.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.2 t -78.95 102.82 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -146.78 -21.32 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.757 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -60.08 -24.66 30.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.561 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 t -64.35 136.77 57.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.89 0.376 . . . . 0.0 111.18 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -136.28 -12.73 1.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.776 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.6 m -55.56 150.84 2.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.404 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.15 169.42 11.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -165.93 -32.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.048 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 59.91 104.3 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.392 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -93.11 119.03 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.982 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.35 -143.73 39.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.422 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -96.21 116.07 28.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.359 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -141.61 150.14 41.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.0 m -80.8 119.59 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.274 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -167.73 -64.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.005 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.34 131.14 17.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.001 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -161.35 122.43 2.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 59.55 102.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.392 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.4 m -104.91 155.27 19.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.605 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.8 mp -82.29 101.91 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.064 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.7 mt -125.34 111.08 26.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 t -117.95 -17.22 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.271 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.5 t -94.14 113.4 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -116.04 -10.92 11.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.85 165.69 11.9 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.448 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.58 131.82 51.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.85 0.357 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -167.49 28.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.305 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.18 142.38 28.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.964 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.3 p -143.74 146.37 33.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.595 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 87.6 mtp -131.16 119.51 22.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.109 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' HB3' HD22 ' B' ' 70' ' ' LEU . 29.9 mt-10 -69.19 146.44 52.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.691 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.3 m -123.49 140.22 33.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.296 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.563 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 69.8 Cg_endo -102.08 166.87 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.307 2.671 . . . . 0.0 112.611 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.38 150.37 57.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.09 -43.81 0.68 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.487 2.124 . . . . 0.0 112.932 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.473 ' HA ' HG21 ' B' ' 67' ' ' THR . 37.5 p90 -150.05 158.55 44.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.794 0.331 . . . . 0.0 111.126 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.6 156.98 21.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.754 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.84 -170.92 43.98 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.945 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -128.08 124.86 63.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.7 0.286 . . . . 0.0 110.736 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -74.25 103.08 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -123.52 -6.47 8.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.215 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -163.33 110.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.893 0.378 . . . . 0.0 111.258 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 pp -95.67 172.06 8.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.776 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -128.03 -18.81 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.298 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.1 m -125.45 142.25 42.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.831 0.348 . . . . 0.0 111.604 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -99.66 151.19 21.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.3 t -53.69 126.28 9.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.313 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.36 14.03 39.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.398 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -109.05 115.23 29.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.959 0.409 . . . . 0.0 111.043 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -50.52 156.59 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.341 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 p -120.5 157.52 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -140.7 149.46 42.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.442 HG21 ' HA ' ' B' ' 50' ' ' PHE . 41.5 p -58.48 119.64 7.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.175 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.71 2.9 52.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.588 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 65.1 m -103.41 145.78 29.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.757 0.313 . . . . 0.0 110.78 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.554 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 8.5 mp -81.8 171.56 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.588 HG13 ' H ' ' A' ' 72' ' ' MET . 10.0 pt -132.1 -55.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.476 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.588 ' H ' HG13 ' A' ' 71' ' ' ILE . 66.3 mtt -146.96 174.59 11.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.875 0.369 . . . . 0.0 111.21 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.453 HG12 ' HG2' ' B' ' 45' ' ' GLU . 35.7 mt -130.98 129.74 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -106.13 141.53 37.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.624 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -90.36 93.84 9.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.635 178.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 p -113.15 118.19 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.271 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.0 143.53 21.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.098 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.64 25.05 13.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.295 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.77 153.48 22.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.25 155.02 81.33 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.04 108.66 0.69 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.485 2.123 . . . . 0.0 112.162 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -154.2 -8.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.95 12.05 1.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.276 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.13 148.61 84.33 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.056 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.37 129.14 33.17 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.48 2.12 . . . . 0.0 112.294 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -162.03 -1.79 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -88.02 122.19 31.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 59.21 -173.06 0.11 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.264 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.954 -179.926 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -102.78 106.55 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' B' ' 3' ' ' LYS . 0.0 OUTLIER -103.7 120.09 40.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.564 179.708 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 59.23 -167.82 0.16 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 22.6 m -83.58 136.62 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.359 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -172.33 -175.51 1.41 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.674 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.52 152.05 77.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.67 140.69 84.4 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.552 2.168 . . . . 0.0 112.295 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -98.75 8.43 44.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 37.8 pt -78.31 146.02 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 31.3 m -91.48 159.25 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.03 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -145.45 109.43 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.8 t -119.82 137.79 52.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.034 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 59.5 p -77.07 164.12 26.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.342 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.14 169.46 16.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 14.5 p -84.68 -18.3 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 52.4 ttm -60.84 114.5 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 64.1 t 60.15 101.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.28 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -85.22 -172.45 4.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.77 -35.16 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.996 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.1 179.87 20.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -110.58 97.24 6.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.729 0.3 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -130.38 95.71 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.807 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.1 p -159.5 -29.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.34 157.95 22.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.23 -162.98 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -89.46 4.89 47.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 57.1 -170.87 0.09 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 38.9 t -116.54 172.14 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.0 tp -136.65 122.55 20.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.977 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 72.7 mt -86.35 115.86 28.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.014 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 91.7 m -117.85 127.32 53.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.1 t -108.99 95.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -128.71 153.42 47.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -116.44 -155.39 10.43 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.52 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -158.17 114.97 2.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.768 0.318 . . . . 0.0 110.923 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' B' ' 41' ' ' LYS . 10.9 mptt -114.79 -61.37 1.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.764 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . 67.4 123.43 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.559 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 87.8 p -139.67 140.16 36.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.651 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 88.2 mtp -122.42 123.42 41.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.485 ' HB3' HD22 ' A' ' 70' ' ' LEU . 35.9 mt-10 -72.48 146.52 46.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 26.8 m -122.9 139.64 31.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.414 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.554 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 91.7 Cg_endo -101.77 169.98 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.201 2.6 . . . . 0.0 112.537 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.47 149.03 48.18 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.42 -43.86 0.91 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.432 2.088 . . . . 0.0 112.65 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.442 ' HA ' HG21 ' A' ' 67' ' ' THR . 39.3 p90 -150.19 161.79 41.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.885 0.374 . . . . 0.0 111.115 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.92 156.46 39.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.28 -163.76 35.37 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.323 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -129.0 132.26 67.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 111.457 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.9 t -79.74 103.72 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.831 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -125.37 -6.15 7.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.359 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -162.68 111.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 111.119 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.71 171.49 8.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -127.5 -18.5 4.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.39 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.69 142.72 41.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.885 0.374 . . . . 0.0 111.493 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -100.15 151.31 21.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.656 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -54.26 126.84 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.68 9.41 49.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -104.45 120.3 40.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.793 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -55.94 156.11 5.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.075 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.81 159.49 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.784 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -143.97 149.61 37.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.473 HG21 ' HA ' ' A' ' 50' ' ' PHE . 67.3 p -58.5 120.18 8.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.265 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.04 1.21 51.63 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.8 m -102.62 145.51 29.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 8.1 mp -82.12 170.33 15.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.548 HG13 ' H ' ' B' ' 72' ' ' MET . 11.1 pt -131.36 -54.34 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.717 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.548 ' H ' HG13 ' B' ' 71' ' ' ILE . 67.3 mtt -148.26 174.02 12.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.959 0.409 . . . . 0.0 111.091 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.408 HG12 ' HG2' ' A' ' 45' ' ' GLU . 36.3 mt -129.33 136.07 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.359 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -113.44 137.89 50.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.767 0.318 . . . . 0.0 111.188 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -86.83 92.34 8.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.939 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 p -110.43 120.08 60.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.188 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.45 143.04 36.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.783 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.05 116.0 5.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.625 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.25 154.23 18.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.719 0.295 . . . . 0.0 110.945 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.65 145.01 97.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.143 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.64 -37.57 5.23 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.46 2.107 . . . . 0.0 112.254 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -140.0 -14.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 58.25 28.66 16.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.481 ' H ' ' HD2' ' B' ' 85' ' ' PRO . . . -96.13 -51.0 0.23 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.706 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . 0.481 ' HD2' ' H ' ' B' ' 84' ' ' ALA . 59.4 Cg_endo -71.93 -32.14 11.64 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.109 1.873 . . . . 0.0 112.204 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.52 -60.82 1.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.833 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 60.5 tttp 63.04 165.63 0.12 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.012 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -64.61 -13.19 52.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.391 -0.814 . . . . 0.0 110.801 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mmm . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.8 m -95.23 8.07 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.303 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -83.87 -23.46 31.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.092 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -126.44 112.47 15.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -106.5 -175.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -63.9 -62.44 1.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.986 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -75.34 131.26 78.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.72 133.98 14.59 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.348 2.032 . . . . 0.0 112.316 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -154.57 -14.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mm 60.84 102.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.64 130.64 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.168 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -87.82 141.35 28.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.506 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.1 m -120.3 167.56 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.276 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.484 HG21 ' H ' ' A' ' 20' ' ' VAL . 32.9 m -148.81 -88.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 51.66 23.47 1.97 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.695 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.484 ' H ' HG21 ' A' ' 18' ' ' THR . 8.3 p -104.66 -25.07 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.77 0.319 . . . . 0.0 111.2 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -122.16 -17.42 7.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.218 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.7 p -164.53 144.73 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -138.5 -66.79 0.48 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.799 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.56 -31.07 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -120.18 165.71 13.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.44 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -84.63 159.2 20.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.311 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -155.07 138.23 15.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.658 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.7 p -99.34 145.13 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.81 153.01 36.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.072 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.39 178.26 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -106.96 139.66 41.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -139.03 173.84 11.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.1 t -102.19 161.38 13.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.8 mt -135.5 -12.54 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.1 mt 60.88 102.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.34 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.504 HG21 ' H ' ' A' ' 38' ' ' GLU . 8.6 t -137.4 174.31 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.963 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.62 5.07 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.299 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.504 ' H ' HG21 ' A' ' 36' ' ' THR . 9.9 mm-40 60.67 -88.47 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.306 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -139.13 25.64 2.76 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.787 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -87.88 152.76 21.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 111.0 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -64.25 165.78 8.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.403 ' HA ' HG13 ' B' ' 76' ' ' VAL . . . -69.55 -90.8 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.982 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.611 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 80.2 p -58.06 116.48 3.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.998 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 54.7 ttp -132.55 119.46 20.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' HB2' HD11 ' B' ' 70' ' ' LEU . 11.4 pt-20 -77.98 131.45 37.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.635 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.423 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 27.4 m -110.42 146.98 35.42 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.244 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 60.6 Cg_endo -101.55 165.85 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.28 2.653 . . . . 0.0 112.376 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.24 142.37 89.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.19 -44.53 4.84 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.554 2.17 . . . . 0.0 112.509 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -149.89 151.97 34.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.013 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.76 136.99 57.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.289 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.547 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -166.16 -174.59 35.73 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.112 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.512 HG22 ' HG3' ' B' ' 64' ' ' LYS . 36.9 t -128.63 143.47 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.654 0.264 . . . . 0.0 110.465 179.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.514 HG13 ' H ' ' B' ' 62' ' ' GLY . 94.1 t -71.62 110.64 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -99.39 -41.87 7.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -148.08 132.88 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.148 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.2 tp -85.04 142.38 29.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.973 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -134.01 1.77 3.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.279 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.7 m -139.11 142.78 32.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.928 0.394 . . . . 0.0 111.328 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.532 ' N ' HD21 ' A' ' 60' ' ' ASN . 0.9 OUTLIER -103.12 151.26 22.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.785 179.829 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.2 125.26 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.847 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.559 ' H ' HG13 ' B' ' 54' ' ' VAL . . . 90.35 8.09 66.64 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.125 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -98.37 113.66 25.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 111.114 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HG3' HG22 ' B' ' 53' ' ' VAL . 88.2 tttt -45.21 141.17 2.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.385 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.43 HG21 ' N ' ' A' ' 66' ' ' LYS . 9.5 p -109.52 162.59 7.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.941 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.43 ' N ' HG21 ' A' ' 65' ' ' VAL . 68.7 mttm -143.1 148.41 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.851 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.8 m -62.69 120.59 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.11 -14.36 31.16 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.444 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.1 t -86.34 148.1 25.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.427 HD11 ' HB2' ' B' ' 45' ' ' GLU . 3.6 mm? -75.28 133.6 41.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.797 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.559 HG13 ' H ' ' A' ' 72' ' ' MET . 13.5 pt -108.11 -52.8 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.426 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.559 ' H ' HG13 ' A' ' 71' ' ' ILE . 26.1 mmt -148.65 156.76 42.83 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.408 HD13 ' N ' ' A' ' 73' ' ' ILE . 4.3 mp -131.83 129.65 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.378 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.547 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 23.4 m-85 -121.28 139.31 53.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.536 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.604 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 38.6 tt0 -103.09 92.39 4.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.935 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 p -82.88 117.63 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.375 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -90.48 128.85 36.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.453 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.25 -36.93 90.92 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.863 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.22 146.7 52.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.93 0.395 . . . . 0.0 111.335 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.16 151.08 75.29 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.092 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.8 -16.63 29.62 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.312 2.008 . . . . 0.0 112.216 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 57.6 -166.27 0.15 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.175 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.52 -35.81 81.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 56.56 86.27 0.17 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.299 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -57.24 131.58 45.86 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.616 2.211 . . . . 0.0 112.254 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.74 -10.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -160.17 98.9 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 59.12 108.53 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.503 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.843 179.935 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.66 0.267 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 40.4 t 60.18 99.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.299 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -154.24 157.06 38.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.777 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.95 173.2 0.81 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.03 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 29.4 t -66.02 107.79 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.937 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -144.53 141.12 29.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.702 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 34.0 m -62.63 149.69 88.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.337 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.93 151.44 45.25 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.415 2.076 . . . . 0.0 112.178 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -165.87 127.42 1.9 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.062 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.425 HD11 ' N ' ' B' ' 10' ' ' ILE . 3.8 mp 58.18 100.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.235 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.8 p -165.74 -25.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -84.16 -18.52 36.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -115.6 152.33 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.0 t -162.63 -38.05 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.407 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 58.86 95.89 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.259 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -102.68 140.48 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 27.7 ttt 61.3 -83.5 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.15 141.15 18.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.758 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -149.25 -61.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.686 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t 59.57 92.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.192 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.42 33.67 5.15 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.251 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -83.5 134.44 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 110.82 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -127.13 -20.83 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.771 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 28.6 m -93.27 138.8 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.85 179.82 5.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.58 -34.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.49 170.58 8.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.89 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -78.35 128.89 34.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 47.8 t -71.71 162.51 29.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.013 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.431 ' N ' HD11 ' B' ' 34' ' ' LEU . 6.6 mp -90.14 9.19 29.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.748 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.1 mt -92.6 -65.7 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 63.2 m -67.25 138.87 57.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 14.3 t -104.2 -57.39 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.24 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -122.6 139.36 54.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.081 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.16 -64.61 0.6 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.448 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -126.94 141.99 51.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.644 0.259 . . . . 0.0 110.662 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -140.25 -53.44 0.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.223 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . 62.89 -85.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.604 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 80.7 p -61.11 117.35 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.364 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 57.3 ttp -129.9 119.97 24.13 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.981 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.427 ' HB2' HD11 ' A' ' 70' ' ' LEU . 10.4 pt-20 -78.17 133.24 37.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.793 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 20.6 m -111.12 145.91 33.44 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.323 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -101.6 166.14 0.33 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.159 2.572 . . . . 0.0 112.275 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.72 142.68 88.73 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.15 -45.43 3.91 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.389 2.06 . . . . 0.0 112.551 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -149.19 156.15 41.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.21 136.99 56.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.552 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . -169.12 -168.91 31.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.525 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.481 HG22 ' HG3' ' A' ' 64' ' ' LYS . 24.2 t -129.7 146.57 33.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 111.467 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.559 HG13 ' H ' ' A' ' 62' ' ' GLY . 70.6 t -71.66 112.68 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -103.11 -39.68 6.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.064 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -149.48 134.18 17.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 57.0 tp -86.9 141.59 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.737 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -133.27 1.99 3.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.29 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 31.5 m -139.11 142.28 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 111.406 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.516 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.9 OUTLIER -103.1 149.64 24.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.763 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 42.2 t -65.38 125.86 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . 0.514 ' H ' HG13 ' A' ' 54' ' ' VAL . . . 91.98 3.1 68.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.077 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.24 121.01 34.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.31 . . . . 0.0 110.79 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.512 ' HG3' HG22 ' A' ' 53' ' ' VAL . 88.1 tttt -52.79 141.99 19.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.061 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.6 p -108.74 162.04 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.07 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -144.16 150.72 38.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.905 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.3 m -64.54 121.03 13.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.78 -14.59 31.97 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.567 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 41.8 t -85.82 148.56 25.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.445 HD11 ' HB2' ' A' ' 45' ' ' GLU . 3.5 mm? -76.2 134.43 39.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.546 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.55 HG13 ' H ' ' B' ' 72' ' ' MET . 14.2 pt -109.12 -52.63 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.484 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.55 ' H ' HG13 ' B' ' 71' ' ' ILE . 25.4 mmt -149.12 155.58 40.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.899 0.38 . . . . 0.0 111.124 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.438 ' N ' HD13 ' B' ' 73' ' ' ILE . 4.2 mp -129.39 133.33 65.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.061 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.552 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 24.2 m-85 -125.09 135.56 52.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.609 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . 0.611 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 33.1 tt0 -99.94 92.65 5.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.31 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.403 HG13 ' HA ' ' A' ' 42' ' ' ALA . 1.6 p -81.96 117.74 28.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.279 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -93.63 139.83 30.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.785 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 131.65 10.11 2.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.582 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.11 132.66 48.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.85 0.357 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.76 154.27 70.61 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.87 166.26 8.81 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.404 2.07 . . . . 0.0 112.151 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -127.79 147.9 50.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.23 144.28 26.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.463 ' HB3' ' HD3' ' B' ' 85' ' ' PRO . . . -68.18 -50.91 28.05 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . 0.463 ' HD3' ' HB3' ' B' ' 84' ' ' ALA . 86.8 Cg_endo -77.84 157.94 31.3 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.173 1.916 . . . . 0.0 112.333 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -154.14 173.78 15.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -100.25 152.84 19.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 58.02 95.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.147 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.938 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.785 0.326 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 66.2 t -124.26 133.93 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -98.45 128.72 44.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.704 179.771 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -85.83 120.33 27.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.032 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.2 t 65.49 138.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.411 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -70.18 124.29 23.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.804 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.67 131.6 84.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.66 142.74 44.68 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.389 2.059 . . . . 0.0 112.127 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -74.08 -38.37 63.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.197 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.2 mt 60.06 99.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -112.3 -12.83 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.089 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.97 -37.08 71.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -140.98 158.17 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 0.0 111.359 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.5 m -134.7 109.11 8.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.78 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -107.96 142.0 38.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.75 137.09 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.758 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.0 ptt? -117.79 -11.81 10.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.177 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.5 t -96.95 110.17 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.065 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -98.06 157.26 16.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.4 m -77.09 -11.39 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.014 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.1 75.04 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.277 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -119.03 122.66 42.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.996 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -99.84 -177.02 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.73 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 43.3 t -83.45 99.4 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.83 117.21 20.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.51 -31.52 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.52 178.98 6.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -100.42 -65.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.6 m -78.97 138.36 38.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.8 mt -102.55 -59.13 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.061 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.6 pt -89.75 128.14 41.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.336 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 p -141.48 -177.58 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.838 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 p -127.22 123.9 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.013 0.435 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -133.41 111.81 11.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.858 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.9 -36.67 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -105.59 114.49 28.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.763 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.494 ' HD3' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.81 -165.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.816 -179.877 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.528 ' HB2' HG21 ' B' ' 76' ' ' VAL . . . -94.52 -64.46 1.07 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.351 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.582 ' HB3' ' HG3' ' B' ' 75' ' ' GLU . 82.3 p -57.97 137.49 56.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.538 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 94.9 mmm -148.29 123.7 10.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.87 0.367 . . . . 0.0 111.312 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.2 150.45 42.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.528 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.434 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 27.3 m -127.49 138.89 33.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.204 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 87.5 Cg_endo -101.84 168.8 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.314 2.676 . . . . 0.0 112.453 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.91 134.1 68.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -68.04 -44.53 3.76 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.318 2.012 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -145.29 142.58 29.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.72 141.63 37.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.579 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.16 -162.12 15.59 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.945 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -134.9 137.14 51.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.743 0.306 . . . . 0.0 110.501 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.69 106.13 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.016 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.93 -56.61 3.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.85 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -155.8 112.34 3.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.447 HD12 HG22 ' B' ' 61' ' ' VAL . 2.1 pt? -57.42 151.7 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -111.34 -22.6 11.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.91 144.27 35.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -97.72 145.99 25.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.437 HG22 HD12 ' B' ' 57' ' ' LEU . 41.1 t -62.33 127.74 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.99 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.28 -4.8 31.53 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.633 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -107.46 117.69 34.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.753 0.311 . . . . 0.0 111.085 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -51.19 153.97 1.8 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.8 p -111.1 161.67 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.204 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -141.68 139.41 32.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.659 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.4 m -58.25 126.19 26.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.7 -15.83 23.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.369 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -96.1 164.09 12.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.401 ' N ' HD11 ' A' ' 70' ' ' LEU . 7.5 mp -89.6 154.56 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.754 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.505 HG13 ' H ' ' A' ' 72' ' ' MET . 16.7 pt -122.76 -51.32 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.28 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.505 ' H ' HG13 ' A' ' 71' ' ' ILE . 72.0 mtm -150.8 163.22 39.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.888 0.375 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.1 mt -136.41 129.13 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.417 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -107.8 161.14 15.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.103 0.477 . . . . 0.0 111.597 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.46 ' HG3' ' HB3' ' B' ' 43' ' ' SER . 34.3 tt0 -135.6 92.28 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.741 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.44 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 5.3 m -81.62 159.23 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.197 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -127.24 25.6 6.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.003 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.17 75.25 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.584 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.41 127.79 56.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.791 0.329 . . . . 0.0 110.98 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.1 150.35 87.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.986 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -68.78 -48.08 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.309 2.006 . . . . 0.0 112.159 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 58.66 -172.69 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.38 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.48 -3.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -135.21 93.61 16.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -52.23 -46.05 35.29 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.565 2.176 . . . . 0.0 112.49 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 62.67 -80.95 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.4 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm 61.75 -177.12 0.12 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.062 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -92.09 169.39 10.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.747 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.911 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttm . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 p -95.83 148.24 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.22 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? 62.34 109.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.249 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -95.79 162.06 13.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.2 t -98.2 112.46 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -168.24 90.6 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.174 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 36.4 t -70.1 126.55 92.45 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.03 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.34 163.99 35.09 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.269 1.979 . . . . 0.0 112.258 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.52 122.61 26.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 36.1 pt -65.47 170.11 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.247 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 36.0 m -131.16 -6.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.421 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.29 129.67 34.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.041 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.7 p -169.52 140.67 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.0 p -136.87 141.55 42.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -125.78 -47.17 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 41.7 t -132.45 133.49 59.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 96.3 mmm -111.48 108.07 17.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -107.54 -46.05 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -102.43 125.77 49.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 48.1 t -127.43 -67.95 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.39 78.34 0.24 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.287 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -119.47 141.97 48.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 111.051 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -87.19 154.66 20.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.44 138.39 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 62.4 103.22 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.31 170.72 7.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.999 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -148.95 118.76 7.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -133.8 -67.9 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.724 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 56.4 m 63.01 117.68 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.293 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 71.1 mt -59.18 159.79 7.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.442 ' N ' HD12 ' B' ' 35' ' ' ILE . 4.0 mp -78.83 120.59 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.988 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 26.9 m 63.65 115.25 0.02 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.381 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -114.04 151.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.008 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -62.48 141.05 58.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.03 -37.29 22.49 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.427 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.8 148.38 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -116.78 -20.42 9.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 76' ' ' VAL . . . -92.05 -69.99 0.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.169 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.46 ' HB3' ' HG3' ' A' ' 75' ' ' GLU . 78.2 p -60.27 133.52 56.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.768 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 95.1 mmm -143.65 128.1 17.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.277 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.94 150.49 34.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.622 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.454 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.8 m -126.75 138.62 32.92 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.436 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 68.6 Cg_endo -101.66 171.6 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.225 2.616 . . . . 0.0 112.179 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.47 134.66 57.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.816 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.87 -42.95 3.9 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.375 2.05 . . . . 0.0 112.558 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -147.0 143.65 28.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.74 140.24 56.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.69 -157.57 10.08 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.651 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.3 t -135.73 139.0 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 111.006 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.2 t -72.47 106.0 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.045 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.75 -58.23 2.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -154.33 113.43 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.717 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.437 HD12 HG22 ' A' ' 61' ' ' VAL . 2.1 pt? -58.17 151.62 18.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -110.8 -23.12 11.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.81 143.45 38.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.195 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -96.74 146.96 24.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.756 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.447 HG22 HD12 ' A' ' 57' ' ' LEU . 44.1 t -63.68 127.64 24.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.062 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.77 -5.09 30.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -106.86 119.08 38.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.755 0.312 . . . . 0.0 110.763 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -52.31 153.92 2.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.07 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 p -109.81 163.07 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.095 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -144.27 139.01 28.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.707 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 28.6 m -57.87 127.3 31.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.84 -14.94 29.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.585 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.4 m -96.81 165.28 12.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.411 HD11 ' N ' ' B' ' 70' ' ' LEU . 7.6 mp -91.52 153.02 20.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.49 HG13 ' H ' ' B' ' 72' ' ' MET . 16.6 pt -121.48 -51.4 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.309 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.49 ' H ' HG13 ' B' ' 71' ' ' ILE . 73.5 mtm -151.17 163.27 39.22 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.008 0.432 . . . . 0.0 111.156 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.8 mt -135.7 133.79 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.182 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -113.36 160.23 18.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.823 0.344 . . . . 0.0 111.241 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . 0.582 ' HG3' ' HB3' ' A' ' 43' ' ' SER . 25.7 tt0 -134.16 92.52 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.001 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.528 HG21 ' HB2' ' A' ' 42' ' ' ALA . 1.7 m -80.56 159.2 4.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -128.67 7.44 5.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.812 0.339 . . . . 0.0 110.986 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.12 40.46 97.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.568 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.7 117.95 12.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.94 144.69 55.63 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.06 -66.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.497 2.132 . . . . 0.0 112.319 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . 57.5 -174.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.318 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.03 120.39 28.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . 57.32 87.11 0.15 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.073 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.72 172.77 11.99 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.478 2.119 . . . . 0.0 112.293 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -146.06 134.92 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.297 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -94.46 5.95 50.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -93.53 -36.27 12.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.766 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.777 179.893 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.84 0.353 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.2 t -83.7 138.85 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.987 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.437 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -144.6 9.05 1.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.893 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -92.26 15.38 13.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.5 t -97.58 119.47 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -159.49 1.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.039 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 m -118.93 153.57 52.72 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.5 133.42 51.83 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.597 2.198 . . . . 0.0 112.234 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -119.03 96.34 5.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.469 ' H ' HD12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -81.56 152.27 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.105 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.1 m -95.27 20.04 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 64.64 121.57 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.186 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.16 132.3 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.5 p -134.56 -9.68 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 57.76 89.9 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.964 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.4 m -85.64 -12.29 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 58.0 ttp -133.61 107.19 7.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.5 m -112.37 149.17 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.221 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -83.91 -70.87 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t 64.62 146.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.282 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 175.21 -105.86 0.21 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.609 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.565 ' HB3' ' HB2' ' A' ' 29' ' ' ALA . 5.7 m-20 -129.85 138.54 51.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.695 0.283 . . . . 0.0 111.012 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -104.3 98.57 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 t 57.56 22.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . . . -98.42 165.47 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.262 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 61.71 10.18 3.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.377 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -137.9 100.49 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.793 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -167.27 31.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.474 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.4 p 50.68 90.77 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.259 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.409 HD11 ' N ' ' A' ' 34' ' ' LEU . 6.9 mp -96.26 17.35 16.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.127 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.9 pt -60.93 140.58 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.064 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.1 p -135.87 146.98 48.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.332 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.505 HG11 ' HG2' ' A' ' 38' ' ' GLU . 53.0 t -99.41 -74.44 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.834 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.505 ' HG2' HG11 ' A' ' 37' ' ' VAL . 36.7 mm-40 -136.0 -62.5 0.68 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.783 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.99 -83.48 0.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.556 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.11 153.11 43.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.727 0.298 . . . . 0.0 111.068 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt 64.32 112.95 0.03 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.204 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -126.9 -22.02 3.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.054 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.453 ' HB3' ' HA ' ' B' ' 75' ' ' GLU . 83.1 p -57.66 146.7 29.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.969 179.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.7 ttm -156.12 128.08 7.44 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.953 0.406 . . . . 0.0 111.321 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -77.65 120.58 22.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.682 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 34.7 m -87.73 138.9 31.27 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.051 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.51 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 69.5 Cg_endo -101.87 173.64 0.25 Allowed 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.257 2.638 . . . . 0.0 112.443 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.64 129.04 56.43 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.58 -39.94 41.24 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.427 2.085 . . . . 0.0 112.46 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -146.62 148.53 32.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.026 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.37 163.15 8.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.22 -159.8 30.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.308 -0.948 . . . . 0.0 113.017 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.9 t -128.19 127.38 67.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.66 0.267 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.8 t -74.14 110.59 8.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -96.32 -53.71 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -160.55 131.44 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.005 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.417 ' HB3' ' HE3' ' A' ' 72' ' ' MET . 4.2 pp -74.83 -179.93 4.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.878 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -125.64 -20.58 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.811 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.2 m -126.86 140.01 50.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.181 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.55 ' N ' HD21 ' A' ' 60' ' ' ASN . 0.8 OUTLIER -90.99 150.84 21.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.6 t -59.03 121.85 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.23 -16.81 19.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.371 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -91.36 118.51 30.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -52.8 159.47 1.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.406 HG21 ' N ' ' A' ' 66' ' ' LYS . 9.9 p -118.27 159.3 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' N ' HG21 ' A' ' 65' ' ' VAL . 98.0 mttt -139.66 136.79 34.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.5 m -55.11 125.48 20.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.035 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.13 -15.41 20.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.285 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 65.2 m -97.02 169.22 9.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 110.677 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.528 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 3.4 mm? -95.94 158.67 15.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.7 pt -130.07 -29.27 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.351 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.417 ' HE3' ' HB3' ' A' ' 57' ' ' LEU . 54.0 tpp -159.7 153.63 23.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.406 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.1 mp -131.44 129.34 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.615 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -109.75 148.48 31.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 111.853 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -121.17 92.64 3.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.916 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.9 m -101.19 157.33 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.373 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -124.67 90.97 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.188 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.05 -25.0 65.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.429 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.49 152.48 30.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.048 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.98 125.85 76.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -59.92 166.62 8.34 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.377 2.051 . . . . 0.0 112.176 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.59 136.44 53.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.54 -68.79 0.33 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -165.91 99.6 0.74 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.194 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.77 127.02 11.88 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.368 2.045 . . . . 0.0 112.23 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.32 -13.55 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.621 ' HB2' ' HZ1' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -75.55 151.39 37.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.795 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -134.38 -34.31 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.722 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.893 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -153.69 -31.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -88.49 108.23 19.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -147.19 -36.42 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -87.06 177.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -61.05 148.27 40.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.23 131.51 94.79 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.83 136.64 33.34 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.266 1.978 . . . . 0.0 112.431 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -104.69 5.92 33.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.738 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 18.6 tt -73.97 -18.64 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -81.06 136.29 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -107.96 -179.39 3.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.795 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 23.8 m -71.32 -27.91 30.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.093 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.491 HG22 ' HG2' ' B' ' 19' ' ' GLU . 28.3 m -143.75 -77.36 0.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.491 ' HG2' HG22 ' B' ' 18' ' ' THR . 12.7 pt-20 -171.5 -38.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.977 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 30.0 m -135.62 149.01 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.181 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 50.5 ttm -108.84 -45.45 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.787 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.8 t -134.18 115.75 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -66.41 159.93 25.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.802 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -118.36 128.31 75.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.11 96.2 2.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.619 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -87.19 105.18 17.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 110.774 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -79.02 138.37 37.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 32.9 m -90.24 -25.24 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.359 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.07 -172.93 0.09 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.304 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.05 -169.52 0.1 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -164.52 110.81 1.02 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.99 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -115.86 89.65 3.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.786 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 33.6 t -171.73 19.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.99 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.42 115.07 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.014 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 75.3 mt -109.16 105.51 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.051 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -147.66 -9.58 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.62 -44.89 98.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.16 -11.87 59.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.35 100.02 0.85 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.405 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -124.92 152.86 43.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.389 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -161.64 19.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.843 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.83 -33.58 70.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 80.6 p -58.89 145.19 42.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.481 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 52.1 ttm -153.8 131.5 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.003 0.43 . . . . 0.0 111.254 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -81.0 121.62 26.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.649 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.5 m -87.89 138.5 31.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.318 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.528 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 63.5 Cg_endo -101.79 175.42 0.23 Allowed 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.301 2.667 . . . . 0.0 112.385 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.88 128.22 56.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.044 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -62.79 -38.68 47.26 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.392 2.061 . . . . 0.0 112.492 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -148.26 150.11 33.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.017 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.74 160.53 27.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.972 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.2 -152.34 14.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.95 132.68 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.9 t -78.52 110.61 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.999 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -96.33 -56.04 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -158.24 133.35 8.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.455 ' HB3' ' HE3' ' B' ' 72' ' ' MET . 4.3 pp -76.7 179.16 6.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.8 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -124.21 -21.86 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.968 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 29.5 m -125.85 139.77 50.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.894 0.378 . . . . 0.0 111.404 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.538 ' N ' HD21 ' B' ' 60' ' ' ASN . 0.9 OUTLIER -90.27 151.02 21.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.769 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 51.5 t -59.33 122.05 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.88 -19.92 15.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.421 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.32 122.34 31.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.778 0.323 . . . . 0.0 110.742 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -56.74 159.95 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.021 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.0 p -117.23 161.75 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -143.21 138.26 29.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 22.3 m -55.93 125.9 23.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.89 -16.82 20.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.321 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 49.3 m -96.01 168.56 10.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 110.844 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.51 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 3.4 mm? -95.8 159.24 15.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 40.3 pt -131.17 -27.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.366 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.455 ' HE3' ' HB3' ' B' ' 57' ' ' LEU . 54.2 tpp -163.25 151.73 14.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.025 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.43 ' N ' HD12 ' B' ' 73' ' ' ILE . 3.9 mp -128.41 136.1 60.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.204 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -117.67 142.86 46.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.832 0.348 . . . . 0.0 111.415 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . 0.453 ' HA ' ' HB3' ' A' ' 43' ' ' SER . 41.4 tt0 -115.46 94.55 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.875 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 m -101.98 158.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.811 -178.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -134.6 6.16 3.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.762 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.55 -107.43 2.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.344 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.5 124.74 13.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 111.029 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.59 136.48 71.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -64.95 -4.88 9.64 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.502 2.135 . . . . 0.0 112.294 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.25 -66.69 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.271 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.03 159.68 30.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -150.52 149.99 27.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -66.01 169.27 13.74 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.567 2.178 . . . . 0.0 112.257 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -129.09 -23.05 3.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.902 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.526 ' HG2' ' HG2' ' B' ' 88' ' ' GLN . 63.4 tttm -148.58 141.02 24.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.644 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . 0.526 ' HG2' ' HG2' ' B' ' 87' ' ' LYS . 31.0 mm-40 61.62 13.65 5.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.983 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.823 -179.859 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.3 mmm . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.762 0.315 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.9 t -80.55 137.7 21.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -88.06 110.64 20.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 58.7 -174.59 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.438 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.2 t -107.8 144.09 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.736 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -153.9 13.69 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.123 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 m -64.17 151.88 89.38 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.67 151.01 83.18 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.414 2.076 . . . . 0.0 112.23 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 57.55 -168.92 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.7 pt -124.36 138.4 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.265 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.8 p -158.73 137.45 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -155.52 -1.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.4 t 61.45 102.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.437 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.7 p -100.98 178.9 4.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.976 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -90.15 132.56 35.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.989 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.9 -11.42 12.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 94.4 mmm -87.71 115.96 25.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.0 m -108.57 169.17 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.02 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -84.74 -57.47 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.63 151.45 33.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.074 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.22 131.57 7.25 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -82.76 152.71 25.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 111.078 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.575 ' HZ1' ' HB3' ' A' ' 27' ' ' LYS . 3.8 mmmp? -87.36 109.67 19.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 m -83.05 143.49 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.218 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 59.91 98.69 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.267 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.91 -56.77 2.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.976 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -100.64 103.46 14.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.044 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -138.4 -23.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.397 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.5 p -141.27 -46.65 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.827 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mp -96.22 173.99 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.7 mt -127.45 107.27 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.5 m 59.25 99.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.267 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.22 137.04 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.03 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -157.68 -56.43 0.08 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.773 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.89 64.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.616 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -73.59 138.69 45.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.795 0.331 . . . . 0.0 110.73 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.31 169.82 8.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.093 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -154.59 141.18 18.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.517 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.3 m -143.3 146.78 33.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 49.3 tpp -132.47 119.4 20.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.847 0.356 . . . . 0.0 111.099 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.47 ' HG2' HG12 ' B' ' 73' ' ' ILE . 24.3 mt-10 -75.59 151.49 37.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.545 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.7 m -121.05 142.47 34.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.187 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 81.5 Cg_endo -101.68 145.26 0.26 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.232 2.622 . . . . 0.0 112.248 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.79 138.63 97.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.273 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.57 -39.8 8.65 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.435 2.09 . . . . 0.0 112.412 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -147.65 153.66 39.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.463 ' HA ' HG13 ' B' ' 65' ' ' VAL . . . -67.99 156.84 36.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.452 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . 168.69 171.47 34.53 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 120.132 -1.032 . . . . 0.0 113.41 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.0 t -97.87 132.07 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.988 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -74.33 127.9 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.496 ' HD2' ' HB2' ' A' ' 75' ' ' GLU . 57.6 mtpt -103.72 -45.0 4.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.745 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.514 ' HG2' ' H ' ' A' ' 58' ' ' LYS . 34.9 tt0 -144.44 140.19 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.52 HD11 ' N ' ' A' ' 58' ' ' LYS . 2.8 pp -61.89 -33.57 74.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.038 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.561 ' HE3' ' HB2' ' A' ' 70' ' ' LEU . 10.0 tmtt? 74.26 -41.89 0.49 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.686 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.84 149.01 31.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.827 0.346 . . . . 0.0 111.463 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -87.82 151.34 22.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.447 HG22 HD22 ' B' ' 57' ' ' LEU . 21.3 t -56.48 125.02 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.64 19.4 32.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -104.23 111.42 24.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -48.01 158.5 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.359 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.411 HG13 ' HA ' ' B' ' 51' ' ' ALA . 6.7 p -130.35 160.43 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.999 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -143.29 159.27 42.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.842 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.5 p -61.33 116.81 4.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.25 -1.58 35.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.552 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.2 t -98.33 130.96 44.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.737 0.303 . . . . 0.0 110.808 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.561 ' HB2' ' HE3' ' A' ' 58' ' ' LYS . 3.3 mm? -69.56 159.27 33.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.635 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 72' ' ' MET . 27.2 pt -134.12 -41.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.749 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.54 ' HE3' ' HE3' ' B' ' 72' ' ' MET . 62.9 mtt -145.09 158.43 43.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.032 0.444 . . . . 0.0 111.294 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.478 HG12 ' HG2' ' B' ' 45' ' ' GLU . 24.6 mt -132.57 122.43 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.163 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.452 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 82.1 m-85 -109.76 139.31 44.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.95 0.405 . . . . 0.0 111.802 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.496 ' HB2' ' HD2' ' A' ' 55' ' ' LYS . 42.5 tt0 -84.33 92.71 8.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.602 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 p -110.11 117.84 55.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.349 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.469 ' HA ' ' HB1' ' B' ' 42' ' ' ALA . 42.9 tt0 -71.6 100.55 2.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.637 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.17 -147.03 31.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.513 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.67 121.14 11.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.708 0.289 . . . . 0.0 111.086 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.53 144.79 43.54 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.09 128.98 30.86 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.431 2.087 . . . . 0.0 112.057 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -91.17 126.28 36.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.29 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -144.3 113.35 6.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -155.32 82.02 3.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.199 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.6 -3.07 13.36 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.473 2.116 . . . . 0.0 112.425 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.86 -173.46 2.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -126.86 -29.61 2.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -109.09 -1.75 18.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.802 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.0 t -132.47 -57.54 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.013 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -85.86 154.08 21.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.729 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -155.71 150.09 25.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.758 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -77.76 -58.96 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.097 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -60.52 153.91 22.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.45 153.07 72.38 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.188 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -67.89 136.47 38.5 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.547 2.165 . . . . 0.0 112.462 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.8 t70 63.59 164.05 0.12 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.071 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 72.6 mt -104.56 -53.5 7.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.037 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 46.0 t -89.99 100.43 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -114.82 170.73 8.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 p -97.79 143.27 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.086 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 59.5 m -111.28 115.79 29.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 59.56 99.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.95 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -63.77 157.5 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' MET . . . . . 0.424 ' HG3' HG21 ' B' ' 22' ' ' VAL . 23.3 ptt? -102.71 -38.43 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.04 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.424 HG21 ' HG3' ' B' ' 21' ' ' MET . 26.0 m -138.91 141.22 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.393 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -170.72 -43.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.759 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 48.6 t -128.4 127.33 67.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.33 -153.76 6.82 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -97.7 -177.62 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.554 0.216 . . . . 0.0 110.777 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 63.13 -82.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.256 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 42.6 t 61.64 106.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.123 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.4 -49.58 10.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.176 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.14 -169.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.03 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -132.02 112.41 12.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.109 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 57.31 -90.72 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.272 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 53.0 m 61.08 -83.22 0.02 OUTLIER 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.11 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 75.5 mt -124.3 -164.67 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.559 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.527 ' HB ' HG22 ' B' ' 37' ' ' VAL . 14.0 pt -56.84 -25.95 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.044 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 2.7 m 60.1 10.7 2.37 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.552 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.527 HG22 ' HB ' ' B' ' 35' ' ' ILE . 35.6 m -130.38 176.16 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.359 . . . . 0.0 111.076 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -137.53 -52.95 0.66 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.17 159.42 51.73 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -77.09 143.69 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -161.01 83.68 0.66 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' A' ' 77' ' ' GLU . . . -175.43 121.6 0.2 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.803 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 46.8 m -137.86 145.28 42.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.701 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 47.1 tpp -128.64 119.88 25.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.083 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.478 ' HG2' HG12 ' A' ' 73' ' ' ILE . 31.2 mt-10 -75.25 151.8 38.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.595 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.7 m -122.18 141.77 35.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.249 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 79.2 Cg_endo -101.16 147.74 0.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.082 2.521 . . . . 0.0 112.6 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.49 138.55 97.48 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.34 -38.18 9.1 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.373 2.049 . . . . 0.0 112.556 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -149.37 155.0 39.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.969 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.411 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -73.05 151.66 41.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.993 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.442 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . 172.84 176.08 41.19 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.51 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.4 t -98.19 135.69 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.277 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.2 t -76.77 127.69 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.474 ' HD2' ' HB2' ' B' ' 75' ' ' GLU . 57.3 mtpt -104.8 -44.83 4.74 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.542 ' HG2' ' H ' ' B' ' 58' ' ' LYS . 34.3 tt0 -144.59 141.41 29.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.057 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.515 HD11 ' N ' ' B' ' 58' ' ' LYS . 2.3 pp -63.08 -33.33 75.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . 0.559 ' HE3' ' HB2' ' B' ' 70' ' ' LEU . 9.8 tmtt? 74.02 -41.6 0.49 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.471 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.1 m -132.68 149.28 31.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 111.5 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -88.14 151.59 22.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.495 HG22 HD22 ' A' ' 57' ' ' LEU . 21.1 t -57.61 124.3 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.221 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.95 16.15 36.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -101.36 117.16 34.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.7 0.286 . . . . 0.0 110.729 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.41 ' HZ2' ' HE2' ' B' ' 66' ' ' LYS . 22.1 pttp -53.07 160.96 0.9 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.463 HG13 ' HA ' ' A' ' 51' ' ' ALA . 4.4 p -131.68 159.76 42.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.99 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.41 ' HE2' ' HZ2' ' B' ' 64' ' ' LYS . 68.3 mttm -144.66 159.59 42.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.087 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 74.5 p -61.09 117.68 5.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.191 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.28 -2.14 37.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.559 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 41.3 t -98.39 130.47 45.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.827 0.346 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.559 ' HB2' ' HE3' ' B' ' 58' ' ' LYS . 3.3 mm? -69.27 159.37 33.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.586 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 29.1 pt -134.52 -39.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.667 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.54 ' HE3' ' HE3' ' A' ' 72' ' ' MET . 63.0 mtt -147.07 158.19 43.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.015 0.436 . . . . 0.0 111.499 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.47 HG12 ' HG2' ' A' ' 45' ' ' GLU . 17.1 mt -132.01 124.91 53.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.843 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.442 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 66.2 m-85 -112.55 136.34 52.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 111.489 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . 0.474 ' HB2' ' HD2' ' B' ' 55' ' ' LYS . 40.3 tt0 -80.95 92.13 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.879 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 p -107.85 120.32 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.243 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -73.94 111.71 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -177.33 -110.52 0.27 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.555 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.5 122.64 26.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.98 144.58 98.86 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -62.83 118.36 5.26 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.476 2.118 . . . . 0.0 112.357 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.06 -7.66 55.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.03 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.45 123.7 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.191 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.85 153.03 38.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.147 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.01 -14.73 35.66 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.596 2.197 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.13 115.31 14.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.073 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.514 ' HG2' HE21 ' B' ' 88' ' ' GLN . 41.7 ttmt -119.87 -56.85 2.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.75 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . 0.514 HE21 ' HG2' ' B' ' 87' ' ' LYS . 30.9 mm-40 -95.72 150.61 20.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.423 -0.799 . . . . 0.0 111.042 -179.856 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 84.4 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.624 0.249 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.3 ttp -152.46 120.43 6.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.88 0.372 . . . . 0.0 111.174 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.553 ' HB3' HD23 ' B' ' 70' ' ' LEU . 26.3 mt-10 -68.81 152.01 45.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.834 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.54 143.45 48.38 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.185 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 65.7 Cg_endo -101.93 165.32 0.32 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.22 2.613 . . . . 0.0 112.491 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.03 143.46 61.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.071 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.74 -43.1 2.87 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.518 2.145 . . . . 0.0 112.566 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -149.37 158.41 44.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.0 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.86 140.25 57.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.409 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.02 -165.97 23.21 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.059 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.472 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 61.8 t -134.28 131.45 55.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.727 0.299 . . . . 0.0 110.465 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.519 HG11 ' HA ' ' B' ' 61' ' ' VAL . 90.6 t -71.49 100.64 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.812 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -93.13 -40.51 10.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -149.71 127.02 11.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.899 0.38 . . . . 0.0 111.319 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.4 tp -83.34 150.17 26.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.58 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -113.96 -37.05 4.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.468 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.7 m -118.4 139.95 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.898 0.38 . . . . 0.0 111.306 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -100.88 151.51 21.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.025 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.487 ' HA ' HG11 ' B' ' 54' ' ' VAL . 60.8 t -52.34 135.12 13.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.057 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.54 -11.42 61.33 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.351 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -95.99 106.61 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.734 0.302 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' B' ' 53' ' ' VAL . 19.2 ptpt -51.92 151.71 3.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.407 HG22 ' N ' ' A' ' 66' ' ' LYS . 8.0 p -109.17 163.03 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.938 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.407 ' N ' HG22 ' A' ' 65' ' ' VAL . 67.7 mttm -138.28 147.82 44.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.874 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.3 m -66.74 122.92 18.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.092 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.41 -15.53 22.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.615 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.0 p -96.1 175.66 6.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' B' ' 45' ' ' GLU . 5.0 mp -100.63 168.76 9.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.645 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.461 HG13 ' H ' ' A' ' 72' ' ' MET . 12.8 pt -133.3 -50.35 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.673 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.461 ' H ' HG13 ' A' ' 71' ' ' ILE . 72.9 mtm -148.35 168.68 21.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.834 0.35 . . . . 0.0 111.041 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.1 mt -135.49 129.31 49.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -109.27 161.07 15.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.368 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 1.0 OUTLIER -133.56 92.58 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.008 179.243 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.231 -179.689 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 79.2 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.722 0.296 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 57.4 ttp -143.11 124.99 15.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.531 ' HB3' HD23 ' A' ' 70' ' ' LEU . 32.3 mt-10 -71.89 152.34 42.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.642 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 34.8 m -128.67 142.54 45.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.378 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.511 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 93.6 Cg_endo -101.35 168.18 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.253 2.635 . . . . 0.0 112.416 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.32 142.96 51.24 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.41 -43.9 2.65 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.324 2.016 . . . . 0.0 112.382 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -148.74 161.23 42.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.35 137.72 44.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -164.66 -161.21 13.22 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 57.0 t -134.38 133.76 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.729 0.299 . . . . 0.0 111.043 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.487 HG11 ' HA ' ' A' ' 61' ' ' VAL . 95.7 t -72.01 101.24 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.819 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -94.23 -39.0 10.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.389 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -151.61 126.53 9.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 111.3 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 57.4 tp -82.61 151.31 26.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.526 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' LYS . . . . . 0.437 ' HE2' ' HB2' ' B' ' 70' ' ' LEU . 64.2 tttp -115.22 -36.68 4.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.435 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.4 m -118.64 139.5 45.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.859 0.361 . . . . 0.0 111.266 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -100.45 151.48 21.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.015 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.519 ' HA ' HG11 ' A' ' 54' ' ' VAL . 62.1 t -52.82 136.34 13.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.016 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.2 -13.99 61.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.205 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.98 110.45 22.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.311 . . . . 0.0 110.673 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 19.1 ptpt -55.55 152.78 8.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.269 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.432 HG22 ' H ' ' B' ' 66' ' ' LYS . 4.3 p -108.31 166.07 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.799 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.432 ' H ' HG22 ' B' ' 65' ' ' VAL . 67.8 mttm -142.87 147.99 36.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.954 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.3 m -67.03 122.96 18.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.89 -18.21 19.49 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.468 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 91.6 p -93.89 174.92 6.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.99 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.553 HD23 ' HB3' ' A' ' 45' ' ' GLU . 4.9 mp -100.66 168.85 9.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.553 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.474 HG13 ' H ' ' B' ' 72' ' ' MET . 13.7 pt -133.37 -50.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.644 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.474 ' H ' HG13 ' B' ' 71' ' ' ILE . 73.4 mtm -148.52 168.31 23.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.931 0.396 . . . . 0.0 111.154 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 27.2 mt -134.3 135.03 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.34 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 43' ' ' SER . 56.9 m-85 -116.63 158.16 24.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.796 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 1.1 tm-20 -129.51 94.8 3.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.244 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.402 -179.627 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.3 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.647 0.261 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.4 tpp -125.5 119.81 29.2 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.825 0.345 . . . . 0.0 111.345 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.578 ' HG2' HG12 ' B' ' 73' ' ' ILE . 30.5 mt-10 -78.12 146.62 35.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.592 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.19 142.25 44.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -101.83 151.64 0.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.156 2.571 . . . . 0.0 112.493 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.54 145.97 94.34 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.43 -44.34 0.8 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.507 2.138 . . . . 0.0 112.616 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -148.7 161.03 42.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.184 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 149.7 44.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.425 ' O ' HG12 ' B' ' 65' ' ' VAL . . . -175.74 173.39 46.22 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.819 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.3 t -115.98 127.24 73.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.677 0.275 . . . . 0.0 110.301 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.469 HG11 ' HA ' ' B' ' 61' ' ' VAL . 98.7 t -71.62 106.41 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.986 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -104.12 -32.67 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.702 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -157.29 124.02 5.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.558 ' HB2' HG22 ' B' ' 61' ' ' VAL . 33.1 tp -82.77 149.73 27.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.583 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -98.12 -47.18 5.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.198 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.56 139.74 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.944 0.402 . . . . 0.0 111.446 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -106.36 151.73 24.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.732 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.566 HG22 ' HB2' ' B' ' 57' ' ' LEU . 33.2 t -45.93 127.37 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.16 13.89 21.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -123.69 105.95 10.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.253 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -50.32 142.43 10.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.946 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 p -109.95 152.32 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.289 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -137.88 141.35 40.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.494 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 m -52.96 120.88 6.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.264 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.26 -13.37 21.36 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.731 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.2 p -93.81 164.6 13.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.77 0.319 . . . . 0.0 110.795 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.2 mt -86.76 165.0 16.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 72' ' ' MET . 24.6 pt -132.3 -44.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.545 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.472 ' N ' HG13 ' A' ' 71' ' ' ILE . 8.8 ptm -167.44 160.74 13.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.653 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.597 HG12 ' HG2' ' B' ' 45' ' ' GLU . 3.9 mp -131.28 135.65 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.47 ' CZ ' HG11 ' B' ' 65' ' ' VAL . 29.9 m-85 -111.39 160.94 16.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.994 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -94.99 93.13 7.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 -179.191 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.703 0.287 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 54.4 tpp -118.33 123.13 44.57 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.597 ' HG2' HG12 ' A' ' 73' ' ' ILE . 33.3 mt-10 -80.7 147.68 30.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.579 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 24.6 m -130.53 141.67 42.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.368 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 66.1 Cg_endo -101.59 153.14 0.35 Allowed 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.281 2.654 . . . . 0.0 112.5 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.55 146.34 96.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.23 -43.21 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.43 2.087 . . . . 0.0 112.532 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -149.64 165.17 33.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.33 151.17 42.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.326 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.35 -179.07 48.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.26 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 41.6 t -116.97 133.65 63.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.938 0.399 . . . . 0.0 111.37 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.477 HG11 ' HA ' ' A' ' 61' ' ' VAL . 78.2 t -74.87 106.68 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -104.44 -33.8 8.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -156.26 125.87 6.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.073 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.566 ' HB2' HG22 ' A' ' 61' ' ' VAL . 31.7 tp -84.41 149.45 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.571 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -97.93 -47.27 5.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.284 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.54 139.76 44.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.907 0.384 . . . . 0.0 111.525 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -106.77 151.86 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.714 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.558 HG22 ' HB2' ' A' ' 57' ' ' LEU . 38.8 t -46.51 126.33 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.33 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.05 11.94 23.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.302 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -122.03 110.73 16.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -55.29 143.05 29.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.47 HG11 ' CZ ' ' A' ' 74' ' ' PHE . 8.5 p -109.05 153.81 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.306 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -140.29 143.01 35.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.54 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 8.6 m -54.45 119.99 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.405 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.24 -12.27 21.78 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.656 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 90.7 p -94.91 163.36 13.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.731 0.3 . . . . 0.0 110.821 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 70.8 mt -86.4 164.89 16.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.458 HG13 ' N ' ' B' ' 72' ' ' MET . 23.9 pt -132.12 -43.52 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.318 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.458 ' N ' HG13 ' B' ' 71' ' ' ILE . 8.9 ptm -168.59 161.98 11.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.787 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.578 HG12 ' HG2' ' A' ' 45' ' ' GLU . 3.7 mp -131.33 139.35 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.73 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -115.23 157.26 23.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.637 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -92.26 91.76 7.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.076 -179.766 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.69 0.281 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.4 tpt -135.96 118.62 16.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.062 0.458 . . . . 0.0 110.923 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.568 ' HG2' HD12 ' B' ' 73' ' ' ILE . 31.6 mt-10 -80.51 149.47 30.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.895 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.429 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 34.4 m -132.28 136.57 28.3 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.004 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 69.1 Cg_endo -101.81 148.23 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.143 2.562 . . . . 0.0 112.527 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.83 139.74 86.52 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.95 -41.27 5.53 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.416 2.077 . . . . 0.0 112.556 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -150.39 154.34 37.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.108 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.423 ' HA ' HG13 ' B' ' 65' ' ' VAL . . . -65.98 157.24 31.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.391 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . 170.24 168.17 31.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 119.998 -1.096 . . . . 0.0 113.381 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.0 t -97.72 139.01 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.732 0.301 . . . . 0.0 110.981 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -71.81 114.56 10.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.897 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -82.76 -52.04 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.527 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -166.52 142.78 4.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.8 tp -74.2 146.56 43.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.128 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -116.0 -34.5 4.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.8 m -118.7 139.87 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.942 0.401 . . . . 0.0 111.509 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -91.53 150.8 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.781 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.6 t -60.84 128.84 22.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.28 1.18 47.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -106.41 117.43 34.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.816 0.341 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -51.46 167.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.438 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 p -127.44 160.47 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.925 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -142.25 149.96 40.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p -58.26 121.26 10.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.6 -9.68 30.33 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.653 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.5 t -97.91 132.68 43.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 111.037 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.1 mt -72.17 163.85 27.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.591 HG13 ' H ' ' A' ' 72' ' ' MET . 10.4 pt -126.2 -55.99 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.448 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.591 ' H ' HG13 ' A' ' 71' ' ' ILE . 67.1 mtt -149.14 146.05 27.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.753 0.311 . . . . 0.0 110.726 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.569 HD12 ' HG2' ' B' ' 45' ' ' GLU . 6.9 mm -111.72 130.75 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.647 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.548 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 73.3 m-85 -106.2 157.78 17.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.138 0.494 . . . . 0.0 111.917 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -106.46 108.57 20.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.364 178.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.024 0.44 . . . . 0.0 111.463 -178.687 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.774 0.321 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 16.9 tpt -127.17 121.45 31.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.569 ' HG2' HD12 ' A' ' 73' ' ' ILE . 34.1 mt-10 -83.72 147.22 27.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.731 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.445 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.8 m -128.58 135.77 28.1 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.312 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 64.9 Cg_endo -101.66 150.49 0.32 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.219 2.613 . . . . 0.0 112.402 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.61 139.01 92.96 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.96 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -68.72 -41.65 5.65 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.285 1.99 . . . . 0.0 112.444 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -150.26 158.53 44.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.05 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.22 153.74 39.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLY . . . . . 0.48 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . 171.87 173.7 38.87 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.498 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 25.1 t -98.23 143.27 13.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.963 0.411 . . . . 0.0 111.488 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 52.7 t -74.87 114.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.012 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -83.21 -52.15 6.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -165.48 147.26 7.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 56.3 tp -78.87 145.51 34.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.049 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -114.97 -34.61 5.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 31.1 m -118.83 139.97 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.443 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -91.97 151.0 20.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 41.4 t -61.27 129.27 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.011 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.6 -3.32 42.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.544 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -102.56 123.26 45.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.707 0.289 . . . . 0.0 110.803 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -56.92 170.07 0.46 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.295 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' A' ' 51' ' ' ALA . 4.3 p -128.32 161.28 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.027 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -144.6 150.76 37.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.021 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 68.5 p -59.24 121.35 11.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.311 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.13 -9.16 31.35 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.492 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 39.1 t -98.36 131.87 44.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 67.5 mt -72.13 164.23 26.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.561 HG13 ' H ' ' B' ' 72' ' ' MET . 10.2 pt -127.01 -55.34 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.602 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.561 ' H ' HG13 ' B' ' 71' ' ' ILE . 66.3 mtt -150.25 144.6 25.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.041 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.568 HD12 ' HG2' ' A' ' 45' ' ' GLU . 4.4 mm -110.22 136.48 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.225 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.48 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 68.5 m-85 -112.66 155.67 24.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 111.453 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -104.32 100.16 9.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.333 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.36 -179.582 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 79.6 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.832 0.348 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.0 tpp -146.4 119.83 9.04 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -73.6 156.72 37.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.409 HG11 ' HG3' ' B' ' 49' ' ' PRO . 35.4 m -132.17 150.51 76.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 66.1 Cg_endo -101.69 165.54 0.33 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.313 2.675 . . . . 0.0 112.38 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.39 145.53 59.78 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.847 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.46 ' HG3' HG11 ' B' ' 46' ' ' VAL . 44.3 Cg_endo -68.71 -51.81 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.4 2.067 . . . . 0.0 112.567 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -145.06 151.96 39.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.07 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.54 143.3 41.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.576 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -168.53 -167.93 29.87 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.305 -0.95 . . . . 0.0 113.227 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.509 HG13 ' HG2' ' B' ' 64' ' ' LYS . 59.8 t -134.8 128.23 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.714 0.292 . . . . 0.0 110.733 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.3 t -71.74 101.99 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.067 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -123.4 -33.03 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.01 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 73' ' ' ILE . 16.1 mm-40 -117.09 92.98 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.214 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.36 142.06 54.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.802 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 70' ' ' LEU . 3.5 tmtp? -113.87 -46.09 3.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.723 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.426 HG12 ' H ' ' A' ' 60' ' ' ASN . 2.6 t -118.69 164.73 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.426 ' H ' HG12 ' A' ' 59' ' ' VAL . 16.5 m-20 -109.5 151.12 27.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.752 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.4 t -63.33 127.9 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.098 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.45 ' H ' HG11 ' B' ' 54' ' ' VAL . . . 101.43 3.81 53.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.437 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -104.7 123.43 47.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.063 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.514 ' HG2' HG13 ' B' ' 53' ' ' VAL . 96.3 mttt -51.45 151.3 3.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.18 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 p -114.3 157.56 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -140.47 133.87 29.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.663 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.6 m -52.23 134.04 33.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.43 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.62 -18.27 50.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.558 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.0 m -95.53 153.93 17.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.77 0.319 . . . . 0.0 110.79 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.467 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 76.5 mt -80.38 158.84 25.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.537 HG13 ' H ' ' A' ' 72' ' ' MET . 12.6 pt -117.68 -52.67 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.537 ' H ' HG13 ' A' ' 71' ' ' ILE . 62.9 mtt -150.25 166.42 29.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' A' ' 56' ' ' GLU . 39.1 mt -128.36 130.58 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.743 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.576 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 49.8 m-85 -113.02 151.12 31.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.986 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.52 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 34.5 tt0 -119.57 92.23 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.916 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 -179.565 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 84.7 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.708 0.289 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 52.2 tpp -140.85 121.82 14.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.054 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -75.53 156.87 34.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.754 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.46 HG11 ' HG3' ' A' ' 49' ' ' PRO . 35.2 m -132.28 150.82 77.04 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.416 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.467 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 69.5 Cg_endo -101.74 167.97 0.31 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.323 2.682 . . . . 0.0 112.428 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.13 144.75 51.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.409 ' HG3' HG11 ' A' ' 46' ' ' VAL . 42.2 Cg_endo -68.68 -49.88 0.72 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.32 2.013 . . . . 0.0 112.705 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -147.27 153.23 39.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.86 142.23 57.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLY . . . . . 0.595 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . -170.18 -164.39 25.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.676 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.514 HG13 ' HG2' ' A' ' 64' ' ' LYS . 60.1 t -133.71 134.03 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.34 . . . . 0.0 111.1 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.45 HG11 ' H ' ' A' ' 62' ' ' GLY . 69.6 t -75.41 101.79 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -123.13 -34.16 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.975 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.432 ' HB2' ' HB ' ' B' ' 73' ' ' ILE . 14.7 mm-40 -116.11 95.67 5.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.229 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.0 tt -71.35 143.19 50.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' LYS . . . . . 0.429 ' NZ ' ' HB2' ' B' ' 70' ' ' LEU . 3.6 tmtp? -115.58 -46.25 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.777 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -118.44 162.67 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -107.94 151.23 26.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.25 126.99 22.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.24 1.02 47.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.578 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.09 128.06 48.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.984 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.509 ' HG2' HG13 ' A' ' 53' ' ' VAL . 96.2 mttt -56.21 150.61 13.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.1 p -112.02 160.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -143.87 135.37 25.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.885 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.3 m -53.56 132.88 41.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.359 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.91 -19.83 42.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 51.1 m -94.14 154.42 17.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.808 0.337 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 68.8 mt -81.56 158.37 24.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.756 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.52 HG13 ' H ' ' B' ' 72' ' ' MET . 12.9 pt -117.23 -52.14 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.215 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.52 ' H ' HG13 ' B' ' 71' ' ' ILE . 63.9 mtt -151.02 166.66 30.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.432 ' HB ' ' HB2' ' B' ' 56' ' ' GLU . 36.9 mt -127.43 135.72 62.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.503 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.595 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 41.6 m-85 -119.81 145.34 46.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.864 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.529 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 27.5 tt0 -114.42 93.21 4.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.351 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.308 -179.713 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.599 0.238 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 45.7 tpp -142.58 123.16 14.09 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.027 0.441 . . . . 0.0 111.336 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -78.12 136.25 37.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.847 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.435 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 35.3 m -115.06 141.34 26.84 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.071 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 73.6 Cg_endo -101.48 172.22 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.299 2.666 . . . . 0.0 112.606 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.74 141.22 38.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.59 -44.98 1.86 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.536 2.157 . . . . 0.0 112.803 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -142.09 159.59 41.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.021 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.13 152.35 44.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.703 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.65 159.71 12.76 Favored Glycine 0 C--O 1.228 -0.277 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.803 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.614 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 17.2 m -97.17 139.56 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 120.97 0.414 . . . . 0.0 110.981 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.4 t -73.74 133.09 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -128.5 -48.67 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -135.73 108.13 7.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.149 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -75.03 177.75 6.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.728 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HG2' ' HB2' ' A' ' 70' ' ' LEU . 58.3 tptt -129.78 -38.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.777 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.21 143.33 32.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -96.9 150.92 20.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.699 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.427 HG21 HD13 ' B' ' 57' ' ' LEU . 41.0 t -56.99 130.19 19.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.8 -4.07 61.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.377 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -104.1 115.73 30.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.798 0.333 . . . . 0.0 111.184 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.663 ' HA ' ' HA ' ' B' ' 53' ' ' VAL . 22.5 ptmt -47.82 169.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.147 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.41 HG22 ' H ' ' A' ' 66' ' ' LYS . 5.2 p -135.12 164.96 32.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.645 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' H ' HG22 ' A' ' 65' ' ' VAL . 68.3 mttm -141.4 152.38 44.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 111.021 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.2 p -59.92 127.94 34.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.205 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.86 -3.77 62.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.598 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 t -101.85 137.35 40.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.461 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 85.0 mt -66.35 161.48 22.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.033 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.8 pt -128.27 -38.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.292 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.401 ' O ' HG22 ' B' ' 46' ' ' VAL . 56.0 ttm -164.89 158.37 17.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.878 0.371 . . . . 0.0 111.07 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.3 mt -129.15 129.83 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.437 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -101.34 126.5 48.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.907 0.384 . . . . 0.0 111.62 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -93.17 92.49 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.064 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.978 -179.593 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.66 0.267 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 45.4 tpp -138.52 127.15 23.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.026 0.441 . . . . 0.0 111.326 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.63 136.31 35.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.453 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 34.7 m -113.57 140.67 24.83 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.18 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 68.5 Cg_endo -101.34 174.76 0.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.181 2.587 . . . . 0.0 112.438 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.64 140.09 33.51 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.16 -45.69 1.8 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.482 2.121 . . . . 0.0 112.58 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -141.84 162.42 35.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.976 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.92 149.9 39.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.969 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.8 161.45 17.44 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.149 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.663 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 7.6 m -97.32 143.02 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.007 0.432 . . . . 0.0 111.284 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.4 t -74.72 135.49 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.07 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -131.77 -49.12 0.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.101 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -135.64 109.18 7.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.427 HD13 HG21 ' A' ' 61' ' ' VAL . 2.3 pt? -76.46 178.71 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.711 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' LYS . . . . . 0.404 ' HG2' ' HB2' ' B' ' 70' ' ' LEU . 59.0 tptt -130.39 -38.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.706 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.9 142.94 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -96.6 151.04 19.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.795 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 42.5 t -56.94 130.37 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.68 -10.74 60.95 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -97.43 124.76 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.794 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.614 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 22.2 ptmt -55.93 174.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.73 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.1 p -137.64 165.05 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.334 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -144.26 152.67 41.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 0.0 111.015 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 75.1 p -59.79 128.98 39.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.317 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.21 -6.54 66.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.632 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 43.5 t -98.79 137.94 36.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 111.078 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.448 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 79.6 mt -68.24 161.09 27.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 29.4 pt -128.0 -36.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.502 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.422 ' O ' HG22 ' A' ' 46' ' ' VAL . 54.7 ttm -167.38 155.74 9.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.922 0.391 . . . . 0.0 111.217 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 38.6 mt -125.77 136.68 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.132 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -108.79 124.09 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 111.439 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -90.39 92.75 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.225 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.104 -179.614 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.652 0.263 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 17.8 ttt -144.53 125.52 14.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.884 0.373 . . . . 0.0 111.422 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.512 ' HG2' HG12 ' B' ' 73' ' ' ILE . 25.8 mt-10 -76.46 99.33 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.451 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 31.8 m -72.07 130.9 85.91 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.302 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 69.3 Cg_endo -101.63 167.84 0.32 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.187 2.592 . . . . 0.0 112.467 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.93 140.08 77.15 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.27 -45.82 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.382 2.055 . . . . 0.0 112.646 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -143.8 156.53 44.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.979 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.61 155.84 38.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.795 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.77 -160.56 26.39 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.302 -0.952 . . . . 0.0 113.19 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.7 t -129.85 124.79 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.768 0.318 . . . . 0.0 110.59 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.51 100.71 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.152 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -79.58 -53.21 7.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.17 144.02 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.101 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -105.94 172.12 6.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.766 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -134.59 6.01 3.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.327 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.68 140.37 42.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.939 0.399 . . . . 0.0 111.26 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -106.38 148.38 28.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.5 t -64.87 120.74 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.61 -14.04 17.78 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -92.67 117.92 30.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 111.029 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' NZ ' ' HB3' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -53.79 158.6 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.232 179.745 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 66' ' ' LYS . 8.9 p -114.95 161.87 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.136 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' N ' HG22 ' A' ' 65' ' ' VAL . 37.3 mtmm -140.22 161.11 38.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.672 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.5 p -73.09 118.6 16.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.36 -2.61 28.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.593 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.2 p -101.63 131.57 47.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.348 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.453 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 74.3 mt -68.21 170.41 8.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.75 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.492 HG13 ' H ' ' A' ' 72' ' ' MET . 14.6 pt -136.11 -51.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.305 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.492 ' H ' HG13 ' A' ' 71' ' ' ILE . 72.3 mtm -149.3 164.76 33.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.779 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.485 HG12 ' HG2' ' B' ' 45' ' ' GLU . 3.4 mp -134.98 129.81 51.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.577 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -108.92 124.84 51.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 111.571 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -91.03 92.57 8.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.012 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.931 -179.748 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.683 0.278 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 18.1 ttt -140.2 130.38 25.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.891 0.377 . . . . 0.0 111.169 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.485 ' HG2' HG12 ' A' ' 73' ' ' ILE . 29.3 mt-10 -80.78 102.35 9.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.265 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.463 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 35.9 m -74.25 130.56 82.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.533 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 76.3 Cg_endo -101.78 168.66 0.31 Allowed 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.284 2.656 . . . . 0.0 112.433 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.92 139.97 73.73 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.33 -44.44 1.13 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.359 2.039 . . . . 0.0 112.629 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -145.44 157.34 44.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 111.104 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.24 153.34 42.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.066 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.0 -156.38 18.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.628 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.6 t -130.1 128.51 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 111.086 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.8 t -73.71 101.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.058 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -80.5 -53.27 6.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.6 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.79 145.81 9.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.027 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -108.01 170.49 7.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.851 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -133.02 6.27 3.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.309 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.02 139.87 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 111.465 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -106.02 149.19 26.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.618 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 45.2 t -66.1 121.44 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.72 -14.45 17.32 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -92.31 120.57 32.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.766 0.317 . . . . 0.0 110.794 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.45 ' NZ ' ' HB3' ' B' ' 64' ' ' LYS . 0.3 OUTLIER -56.35 158.19 4.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.408 HG22 ' N ' ' B' ' 66' ' ' LYS . 5.6 p -113.26 164.08 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.408 ' N ' HG22 ' B' ' 65' ' ' VAL . 37.2 mtmm -143.38 162.02 36.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.853 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 72.0 p -73.47 117.9 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.79 -0.27 28.86 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.668 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 88.2 p -104.22 130.96 51.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.816 0.341 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 73.6 mt -67.92 170.43 8.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.798 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.489 HG13 ' H ' ' B' ' 72' ' ' MET . 14.7 pt -136.4 -51.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.489 ' H ' HG13 ' B' ' 71' ' ' ILE . 73.5 mtm -149.44 165.6 31.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.512 HG12 ' HG2' ' A' ' 45' ' ' GLU . 3.1 mp -135.23 135.69 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.206 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -114.93 122.72 47.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.26 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -89.04 92.58 9.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.874 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 -179.558 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.549 ' HB2' ' HA ' ' B' ' 75' ' ' GLU . 47.1 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.716 0.293 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 56.9 ttp -152.82 129.38 10.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.192 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -69.11 148.63 49.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.649 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.429 HG11 ' HG3' ' B' ' 49' ' ' PRO . 33.0 m -124.73 144.53 46.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -101.78 146.75 0.27 Allowed 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 123.228 2.619 . . . . 0.0 112.37 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.77 145.27 78.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.012 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.44 ' HG3' HG11 ' B' ' 46' ' ' VAL . 43.4 Cg_endo -68.27 -50.54 0.72 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.457 2.104 . . . . 0.0 112.479 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -146.6 149.62 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.82 145.3 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.435 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -173.23 -169.95 36.27 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.855 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.7 t -129.38 130.93 67.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.76 0.314 . . . . 0.0 110.483 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.6 t -71.52 109.68 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.042 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -112.81 -47.98 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.766 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -124.6 106.68 10.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.03 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.7 tp -89.94 124.01 34.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.716 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -104.1 -3.02 25.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.455 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.0 m -118.98 141.52 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 111.271 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -124.71 151.64 44.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.747 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.9 t -54.05 119.88 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.26 13.25 57.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -104.22 108.99 20.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -48.92 150.99 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.342 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.94 156.26 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.802 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -138.69 148.94 44.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.6 m -62.1 129.78 42.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.27 -16.67 58.89 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.0 t -84.21 157.27 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 70' ' ' LEU . 7.8 mp -79.48 155.69 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.767 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 72' ' ' MET . 19.0 pt -128.87 -48.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.617 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.472 ' N ' HG13 ' A' ' 71' ' ' ILE . 9.8 ptm -168.1 143.31 3.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.816 0.341 . . . . 0.0 111.141 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.1 mt -110.15 138.88 35.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.435 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 58.9 m-85 -111.12 130.23 55.68 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' HB2' ' B' ' 43' ' ' SER . 40.0 tt0 -93.67 92.28 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.4 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.429 HG12 ' HA2' ' A' ' 52' ' ' GLY . 4.3 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.595 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.51 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 48.3 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.608 0.242 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 60.1 ttp -148.02 130.35 15.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.34 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -70.31 150.2 46.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.534 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.44 HG11 ' HG3' ' A' ' 49' ' ' PRO . 32.7 m -125.79 145.01 50.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.262 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 76.9 Cg_endo -101.62 150.46 0.32 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.286 2.657 . . . . 0.0 112.532 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.23 144.49 94.68 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.821 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.429 ' HG3' HG11 ' A' ' 46' ' ' VAL . 40.6 Cg_endo -67.46 -49.33 1.26 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.49 2.127 . . . . 0.0 112.634 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -147.99 151.31 35.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.063 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.98 144.64 44.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.1 -163.59 28.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.61 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 45.1 t -130.93 134.94 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 111.109 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.3 t -74.16 109.66 7.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -112.8 -50.24 2.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.972 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -122.43 108.53 13.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 32.9 tp -91.08 124.32 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.662 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -104.13 -3.13 24.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.415 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.87 141.83 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 111.362 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -125.03 151.49 45.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.573 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.42 119.59 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.085 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.9 10.67 58.56 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.581 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -101.47 112.49 25.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.709 0.29 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -52.49 150.1 5.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.262 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.18 158.5 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.81 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -142.49 150.28 40.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 111.09 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.8 m -63.46 129.34 39.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.16 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.51 -17.59 57.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.532 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 47.3 t -82.92 157.97 22.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.408 ' N ' HD12 ' B' ' 70' ' ' LEU . 8.0 mp -81.63 153.64 26.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.806 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.482 HG13 ' N ' ' B' ' 72' ' ' MET . 20.9 pt -126.76 -49.0 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.782 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.482 ' N ' HG13 ' B' ' 71' ' ' ILE . 10.1 ptm -168.14 142.37 3.41 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.79 0.328 . . . . 0.0 111.329 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 38.1 mt -107.1 145.85 14.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.45 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -118.84 126.79 52.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.736 0.303 . . . . 0.0 111.686 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 43' ' ' SER . 40.0 tt0 -90.83 92.74 8.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.693 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.4 -178.955 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.629 0.252 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.5 tpt -151.7 121.13 6.85 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.876 0.37 . . . . 0.0 111.321 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -65.23 147.57 53.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.755 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.8 m -121.51 137.51 27.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 64.2 Cg_endo -101.66 170.26 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.162 2.574 . . . . 0.0 112.493 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.11 143.11 69.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.68 -42.37 2.49 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.385 2.057 . . . . 0.0 112.457 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -146.83 152.05 38.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.99 146.4 47.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.407 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.46 -168.51 33.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.231 -0.985 . . . . 0.0 112.979 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.64 125.15 70.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.638 0.256 . . . . 0.0 110.823 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.7 t -71.57 108.66 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.956 0.408 . . . . 0.0 111.089 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -84.2 -67.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.796 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -149.74 127.54 11.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.793 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -58.98 152.49 19.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.816 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -112.73 -21.45 11.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.782 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.3 m -121.44 155.99 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -107.04 151.05 25.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.648 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.94 124.07 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.82 15.4 20.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.32 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -116.56 115.42 25.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.837 0.351 . . . . 0.0 111.085 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -49.38 142.76 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.26 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -110.85 157.58 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.04 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -142.49 157.21 44.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.0 p -61.95 121.25 12.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.71 -7.13 33.61 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.663 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.3 p -91.55 141.69 28.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.849 0.357 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.1 mt -83.75 146.64 28.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.758 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.512 HG13 ' H ' ' A' ' 72' ' ' MET . 9.4 pt -112.3 -52.59 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.463 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.512 ' H ' HG13 ' A' ' 71' ' ' ILE . 66.6 mtt -148.62 169.53 20.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.96 0.409 . . . . 0.0 111.248 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.415 HG12 ' HG2' ' B' ' 45' ' ' GLU . 35.4 mt -132.64 129.78 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.605 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -107.79 133.34 52.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 111.785 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -101.71 92.66 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.865 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.182 -179.439 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.644 0.259 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 15.5 tpt -146.23 125.28 12.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.061 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.415 ' HG2' HG12 ' A' ' 73' ' ' ILE . 28.5 mt-10 -68.37 148.93 50.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.725 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -121.81 137.36 27.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.072 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -101.78 172.97 0.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.261 2.641 . . . . 0.0 112.617 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.29 142.63 59.02 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.02 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.83 -43.11 1.9 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.363 2.042 . . . . 0.0 112.498 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -146.61 154.0 40.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.034 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.21 141.31 57.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -168.89 -162.76 21.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.572 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -124.13 129.72 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 111.202 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 73.2 t -74.49 109.12 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -85.62 -67.81 0.78 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -149.84 126.0 10.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -57.02 152.57 12.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.657 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -112.78 -21.88 10.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.706 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 26.7 m -120.6 155.87 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -107.3 150.29 26.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.764 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 46.1 t -66.26 124.77 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.14 13.08 25.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -114.69 120.14 39.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -53.91 142.18 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.091 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.16 158.13 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.987 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -144.18 158.66 43.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.018 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 71.7 p -62.65 122.06 14.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.34 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.52 -10.93 35.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.697 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 96.9 p -88.18 143.24 27.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 111.078 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 62.9 mt -85.8 146.52 26.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.735 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.517 HG13 ' H ' ' B' ' 72' ' ' MET . 10.3 pt -112.2 -52.75 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.601 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.517 ' H ' HG13 ' B' ' 71' ' ' ILE . 64.6 mtt -148.61 168.62 22.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.031 0.443 . . . . 0.0 111.336 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 27.7 mt -129.8 138.82 53.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.012 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -117.81 129.56 55.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.846 0.355 . . . . 0.0 111.464 -179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -97.92 92.72 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.228 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.959 -179.623 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.747 0.308 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.0 tpt -140.34 119.61 12.95 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -76.62 122.61 24.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.859 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 26.8 m -96.64 141.73 23.52 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 79.8 Cg_endo -101.83 169.48 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.183 2.589 . . . . 0.0 112.539 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.49 143.96 42.31 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.54 -43.21 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.499 2.133 . . . . 0.0 112.915 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -147.11 152.76 39.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.773 0.321 . . . . 0.0 111.15 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.07 150.55 47.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.492 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.14 -159.26 23.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.214 -0.994 . . . . 0.0 113.068 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 31.9 t -132.03 143.62 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.647 0.261 . . . . 0.0 110.562 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -71.78 118.21 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.92 0.391 . . . . 0.0 110.976 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -81.36 -61.08 2.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -160.34 134.62 7.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.465 ' HB2' HG22 ' B' ' 61' ' ' VAL . 6.6 tt -73.99 141.49 45.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.81 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.541 ' HG3' HG13 ' A' ' 59' ' ' VAL . 19.7 ptpt -125.56 -13.63 6.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.287 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.541 HG13 ' HG3' ' A' ' 58' ' ' LYS . 27.4 m -120.29 139.73 46.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.913 0.387 . . . . 0.0 111.467 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -101.75 151.45 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.483 HG22 ' HB2' ' B' ' 57' ' ' LEU . 43.7 t -52.95 119.97 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.51 15.0 28.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.437 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -103.86 100.72 10.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 111.095 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -48.15 153.07 0.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.352 179.71 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 p -115.88 163.19 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.942 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -140.76 150.69 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.847 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.9 p -59.0 122.99 15.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.188 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.25 -3.43 51.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.515 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.0 t -101.66 130.06 47.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.495 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 77.2 mt -67.0 160.04 27.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.781 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.517 HG13 ' H ' ' A' ' 72' ' ' MET . 12.7 pt -122.34 -52.13 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.403 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.517 ' H ' HG13 ' A' ' 71' ' ' ILE . 96.4 mmm -145.88 167.47 23.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.828 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.4 mt -134.43 129.33 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -107.0 152.93 23.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.993 0.425 . . . . 0.0 111.6 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -114.37 94.46 4.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.239 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 121.08 0.466 . . . . 0.0 111.769 -179.285 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 C--O 1.231 0.106 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 16.3 tpt -122.29 126.91 49.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.998 0.427 . . . . 0.0 111.76 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -83.14 118.28 23.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.247 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.4 m -91.97 141.2 25.1 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.521 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.495 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 68.1 Cg_endo -101.85 170.46 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 123.277 2.651 . . . . 0.0 112.409 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.25 143.19 41.75 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.856 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.81 -42.2 1.21 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.455 2.103 . . . . 0.0 112.676 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -148.2 154.52 40.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 111.108 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.01 147.85 49.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.06 -156.79 17.43 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.586 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.462 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 33.4 t -131.29 144.89 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 0.0 111.002 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -71.88 119.11 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -82.52 -63.77 1.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -157.4 136.22 11.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.483 ' HB2' HG22 ' A' ' 61' ' ' VAL . 6.6 tt -75.97 140.68 42.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.766 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' LYS . . . . . 0.534 ' HG3' HG13 ' B' ' 59' ' ' VAL . 19.8 ptpt -124.97 -12.23 7.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.523 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.534 HG13 ' HG3' ' B' ' 58' ' ' LYS . 25.4 m -121.76 139.69 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.95 0.405 . . . . 0.0 111.445 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -102.07 151.47 22.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 57' ' ' LEU . 41.9 t -52.56 119.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.41 12.98 31.83 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.645 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -101.98 103.08 13.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.746 0.307 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -50.56 153.63 1.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.34 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.42 HG22 ' H ' ' B' ' 66' ' ' LYS . 4.1 p -114.67 165.11 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.42 ' H ' HG22 ' B' ' 65' ' ' VAL . 68.3 mttm -143.62 151.37 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.861 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 78.7 p -59.89 122.9 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.242 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.7 -2.62 52.8 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.44 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.2 t -102.51 129.63 49.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.341 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 79.8 mt -66.8 160.45 25.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.806 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.513 HG13 ' H ' ' B' ' 72' ' ' MET . 14.1 pt -122.78 -52.41 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.319 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.513 ' H ' HG13 ' B' ' 71' ' ' ILE . 95.1 mmm -146.45 166.97 24.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.927 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 12.2 mt -133.16 135.28 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.436 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -113.08 152.62 29.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.032 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -114.18 92.9 4.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.854 179.829 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.525 ' HB2' ' HG3' ' B' ' 75' ' ' GLU . 47.0 t . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.643 0.259 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 65.5 mtt -145.96 119.84 9.32 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.861 0.362 . . . . 0.0 111.267 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.505 ' HG2' HD12 ' B' ' 73' ' ' ILE . 32.1 mt-10 -67.79 153.01 44.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.851 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.5 m -136.59 139.58 29.73 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.025 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 70.5 Cg_endo -101.78 154.55 0.35 Allowed 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.211 2.607 . . . . 0.0 112.639 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.37 148.62 97.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.17 -48.8 0.33 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.435 2.09 . . . . 0.0 112.632 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -149.86 153.27 36.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.972 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.78 141.52 55.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.669 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.457 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -164.03 -167.03 23.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.915 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.9 t -135.59 129.75 49.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.754 0.311 . . . . 0.0 110.476 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.0 t -71.4 101.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -100.17 -39.87 7.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -149.19 108.34 3.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -65.47 170.83 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.0 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -128.62 -38.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 t -118.58 162.76 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.747 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -111.56 147.53 35.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.677 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.2 t -62.8 120.93 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.62 -6.26 14.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -104.34 125.8 50.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -55.12 157.03 3.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.993 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 66' ' ' LYS . 9.3 p -114.51 159.58 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.233 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' N ' HG22 ' A' ' 65' ' ' VAL . 98.9 mttt -141.33 157.57 45.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.692 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.8 p -64.34 132.76 51.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.33 -13.23 67.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.561 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.4 t -89.52 142.29 27.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 70' ' ' LEU . 7.3 mp -79.09 165.84 22.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 72' ' ' MET . 19.7 pt -126.24 -47.79 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.577 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.477 ' N ' HG13 ' A' ' 71' ' ' ILE . 19.5 ptp -165.67 145.05 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.693 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.541 HD12 ' HG2' ' B' ' 45' ' ' GLU . 8.9 mm -106.68 133.03 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 111.265 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.457 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 55.9 m-85 -107.69 161.34 14.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.879 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.518 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 28.6 tt0 -129.78 92.1 3.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.192 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.518 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 45.0 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.699 0.285 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 66.7 mtt -139.18 124.57 19.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.015 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.541 ' HG2' HD12 ' A' ' 73' ' ' ILE . 34.2 mt-10 -72.38 152.15 42.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.45 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 24.9 m -134.34 138.87 31.24 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.371 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 64.3 Cg_endo -101.73 155.83 0.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.233 2.622 . . . . 0.0 112.471 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.23 148.39 98.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.52 -47.98 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.354 2.036 . . . . 0.0 112.857 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -150.04 154.69 38.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.99 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.59 141.36 58.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.268 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.75 -159.72 12.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.495 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.4 t -137.67 133.33 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.75 0.31 . . . . 0.0 111.259 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.3 t -73.01 102.29 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -100.26 -40.23 7.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -149.13 109.29 4.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -65.6 171.83 3.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -129.19 -38.79 1.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 t -118.51 164.13 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.743 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -112.48 148.23 34.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.752 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.52 120.06 9.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.98 -6.58 13.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.601 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -103.58 126.58 50.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' B' ' 64' ' ' LYS . 0.0 OUTLIER -55.78 156.36 5.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.091 -179.74 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.0 p -112.67 160.81 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.098 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -143.68 159.69 42.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.821 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 77.0 p -66.6 131.0 45.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.2 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.87 -12.37 65.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.496 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 46.1 t -90.67 143.43 26.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.43 ' N ' HD12 ' B' ' 70' ' ' LEU . 7.6 mp -80.74 166.25 21.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.736 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.467 HG13 ' N ' ' B' ' 72' ' ' MET . 21.0 pt -127.1 -46.25 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.546 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.467 ' N ' HG13 ' B' ' 71' ' ' ILE . 20.3 ptp -168.07 143.96 3.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.885 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.505 HD12 ' HG2' ' A' ' 45' ' ' GLU . 5.6 mm -105.17 139.72 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.72 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' A' ' 43' ' ' SER . 47.3 m-85 -115.42 159.28 21.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.292 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.525 ' HG3' ' HB2' ' A' ' 43' ' ' SER . 20.7 tt0 -127.08 92.41 3.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.883 0.373 . . . . 0.0 110.327 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.795 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.681 0.277 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 26.3 mmt -128.78 121.8 29.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.918 0.389 . . . . 0.0 111.409 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.516 ' HB3' HD22 ' B' ' 70' ' ' LEU . 2.3 mp0 -79.17 146.75 32.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.677 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.44 HG22 ' O ' ' B' ' 72' ' ' MET . 34.6 m -129.89 150.42 75.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -101.3 166.75 0.35 Allowed 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 123.202 2.601 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.51 141.67 52.9 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.81 -49.92 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.42 2.08 . . . . 0.0 112.437 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -145.47 151.41 38.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' B' ' 66' ' ' LYS . . . -62.46 126.38 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.03 -178.03 23.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.548 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.44 HG13 ' HD3' ' B' ' 64' ' ' LYS . 63.9 t -116.4 119.98 63.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.781 0.324 . . . . 0.0 110.645 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.401 HG12 ' H ' ' B' ' 62' ' ' GLY . 91.9 t -71.57 126.46 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.001 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -143.39 -39.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.286 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -127.52 100.06 5.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.961 0.41 . . . . 0.0 111.366 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -71.19 162.45 29.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.818 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -134.08 5.91 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.5 m -142.43 147.9 20.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.206 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -110.35 150.93 28.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.795 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.77 120.4 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.464 ' H ' HG12 ' B' ' 54' ' ' VAL . . . 95.19 4.16 61.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.416 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -98.1 125.69 43.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 111.05 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' HD3' HG13 ' B' ' 53' ' ' VAL . 34.9 mmtp -51.75 155.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.167 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -142.02 144.74 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.001 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -137.56 161.8 35.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.4 p -58.05 142.51 46.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.55 -25.32 19.05 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.645 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.7 m -79.28 136.61 37.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.747 0.308 . . . . 0.0 111.055 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.463 HD22 ' HB3' ' B' ' 45' ' ' GLU . 76.0 mt -68.24 128.26 35.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.736 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 72' ' ' MET . 21.8 pt -93.51 -46.96 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.448 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.457 ' N ' HG13 ' A' ' 71' ' ' ILE . 50.5 ttm -167.49 149.67 5.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.738 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.8 mt -116.97 131.26 70.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.057 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -105.76 156.83 17.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.237 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -98.92 93.0 5.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.559 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.237 -178.858 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.686 0.279 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 26.3 mmt -121.71 129.04 52.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.927 0.394 . . . . 0.0 111.102 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.463 ' HB3' HD22 ' A' ' 70' ' ' LEU . 2.4 mp0 -85.44 148.51 25.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.581 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 72' ' ' MET . 35.0 m -130.56 149.78 74.46 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.262 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -101.44 166.69 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.228 2.618 . . . . 0.0 112.53 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.46 141.37 52.75 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.82 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.9 -49.0 1.62 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.429 2.086 . . . . 0.0 112.525 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -146.4 152.84 39.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.43 129.21 39.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.284 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -156.07 -173.78 25.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.202 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.493 HG13 ' HD3' ' A' ' 64' ' ' LYS . 58.7 t -116.49 124.79 73.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.018 0.437 . . . . 0.0 111.503 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 62' ' ' GLY . 83.3 t -74.13 127.44 35.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.865 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -144.63 -38.56 0.28 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.462 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -127.94 100.11 5.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.844 0.354 . . . . 0.0 111.305 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -71.64 162.36 29.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.669 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -133.35 3.39 3.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.986 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 28.9 m -139.46 149.06 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.228 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -111.47 150.63 29.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.639 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.61 119.73 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLY . . . . . 0.401 ' H ' HG12 ' A' ' 54' ' ' VAL . . . 96.92 1.69 59.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.281 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -95.67 130.36 42.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.734 0.302 . . . . 0.0 110.816 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.44 ' HD3' HG13 ' A' ' 53' ' ' VAL . 34.7 mmtp -56.77 155.41 7.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.0 p -140.66 145.79 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 51' ' ' ALA . 97.2 mttt -139.73 162.22 35.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 72.6 p -58.33 140.9 52.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.261 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.98 -23.03 31.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.599 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 63.3 m -81.19 135.96 35.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.95 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.516 HD22 ' HB3' ' A' ' 45' ' ' GLU . 71.8 mt -67.93 127.9 34.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.723 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.461 HG13 ' N ' ' B' ' 72' ' ' MET . 20.2 pt -93.22 -46.9 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.377 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.461 ' N ' HG13 ' B' ' 71' ' ' ILE . 49.7 ttm -168.47 148.83 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 15.5 mt -114.06 137.37 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.662 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -113.13 150.93 31.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.979 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -93.33 92.02 7.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.899 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.19 -179.554 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.7 0.286 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.8 tpt -126.48 119.41 27.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.957 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.404 ' HG3' HG12 ' B' ' 73' ' ' ILE . 2.8 mp0 -78.97 139.89 38.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.704 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.445 HG22 ' O ' ' B' ' 72' ' ' MET . 34.7 m -117.75 143.34 32.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.847 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 53.1 Cg_endo -101.91 161.72 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.264 2.643 . . . . 0.0 112.613 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.14 141.15 70.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.198 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.74 -42.01 1.92 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.472 2.114 . . . . 0.0 112.551 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.59 150.64 33.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.981 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.57 153.25 32.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.574 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.448 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . 174.1 163.25 27.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.181 -1.009 . . . . 0.0 113.171 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.86 132.9 41.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.744 0.306 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 88.3 t -74.37 125.35 33.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -117.65 -52.32 2.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -137.1 118.55 14.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.401 ' HA ' ' SD ' ' A' ' 72' ' ' MET . 2.2 pt? -73.73 165.58 24.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.459 ' HG2' ' HB2' ' A' ' 70' ' ' LEU . 28.2 tptp -110.25 -44.42 3.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -122.86 154.77 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -94.21 151.1 19.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.1 t -57.24 122.45 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.012 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.75 0.51 32.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.39 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -104.29 124.83 49.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.876 0.369 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -54.37 173.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.39 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.73 161.18 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -143.96 153.3 42.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.5 p -61.61 126.85 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.82 -7.21 52.81 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.557 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.3 m -103.12 136.86 42.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.75 0.31 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.459 ' HB2' ' HG2' ' A' ' 58' ' ' LYS . 64.6 mt -64.5 167.01 7.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.793 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.4 pt -136.29 -33.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.626 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.42 ' O ' HG22 ' B' ' 46' ' ' VAL . 55.4 tpp -166.1 158.46 14.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.89 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.414 HG12 ' HG3' ' B' ' 45' ' ' GLU . 23.5 mt -128.86 128.68 67.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.448 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 90.0 m-85 -109.0 154.19 22.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 111.852 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -94.72 95.85 9.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.777 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.511 -179.025 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 56.7 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.718 0.294 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 17.3 tpt -119.25 123.83 45.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.414 ' HG3' HG12 ' A' ' 73' ' ' ILE . 3.1 mp0 -82.59 140.57 33.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.761 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 72' ' ' MET . 35.4 m -118.0 142.89 31.68 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.09 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 62.3 Cg_endo -101.29 166.21 0.35 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.021 2.48 . . . . 0.0 112.487 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.72 141.0 55.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.74 -41.65 2.1 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.28 1.987 . . . . 0.0 112.396 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -150.19 152.71 35.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.979 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.48 148.49 50.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.108 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' GLY . . . . . 0.408 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . 177.16 168.63 37.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.259 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 33.3 t -97.86 137.46 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 111.382 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.5 t -78.14 124.42 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.812 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -117.43 -54.16 2.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.289 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.04 120.7 19.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.047 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.41 ' H ' HD23 ' B' ' 57' ' ' LEU . 2.4 pt? -75.74 166.38 23.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.538 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' LYS . . . . . 0.471 ' HG2' ' HB2' ' B' ' 70' ' ' LEU . 28.3 tptp -110.93 -44.29 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -123.73 152.45 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.254 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -91.98 151.31 20.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 61.7 t -57.68 122.23 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.12 -1.61 29.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.436 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -102.22 128.19 48.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 110.817 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -57.26 175.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 p -138.46 160.24 31.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -144.66 154.15 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.072 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 75.4 p -61.81 126.4 27.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.256 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.23 -6.2 53.25 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 64.8 m -103.65 135.87 44.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.334 . . . . 0.0 111.013 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.471 ' HB2' ' HG2' ' B' ' 58' ' ' LYS . 68.5 mt -65.12 165.29 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 25.7 pt -134.5 -34.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.677 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.445 ' O ' HG22 ' A' ' 46' ' ' VAL . 54.5 tpp -165.1 157.51 15.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.774 0.321 . . . . 0.0 111.035 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.404 HG12 ' HG3' ' A' ' 45' ' ' GLU . 16.8 mt -127.33 131.72 70.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.301 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.408 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 80.1 m-85 -111.92 152.68 27.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 111.206 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -93.34 92.71 7.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.264 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.41 -179.458 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' B' ' 74' ' ' PHE . 47.3 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.757 0.313 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.7 ttt -122.71 119.62 31.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.311 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.53 ' HG2' HD12 ' B' ' 73' ' ' ILE . 28.4 mt-10 -72.05 141.7 49.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.566 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.2 m -128.04 147.48 63.41 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.273 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -101.73 153.62 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.282 2.655 . . . . 0.0 112.562 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.82 147.38 93.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.762 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -64.16 -52.62 1.51 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.398 2.066 . . . . 0.0 112.435 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -149.69 154.4 38.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.997 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.35 138.03 57.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.395 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.505 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -164.86 -172.74 32.69 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.095 -179.178 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.3 t -120.21 125.97 74.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.722 0.296 . . . . 0.0 110.397 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.405 HG22 ' SD ' ' A' ' 72' ' ' MET . 89.4 t -71.61 102.42 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.982 0.42 . . . . 0.0 111.212 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 19.0 ptpt -83.03 -45.83 13.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.997 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 40.2 tt0 -163.84 119.03 1.58 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.817 0.342 . . . . 0.0 111.152 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.78 150.11 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.954 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -118.4 -5.61 10.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.812 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.7 m -123.9 146.45 29.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.052 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -108.86 149.16 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.666 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.2 t -63.1 120.66 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.15 -21.86 36.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.393 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -77.79 110.27 12.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.742 0.306 . . . . 0.0 111.007 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -48.97 151.18 1.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.426 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -114.67 160.07 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -141.55 147.16 37.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.783 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.7 m -63.67 123.43 18.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.155 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.46 -16.56 26.65 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.823 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.1 p -87.99 158.3 18.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.777 0.323 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 70' ' ' LEU . 7.2 mp -80.19 147.14 31.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 72' ' ' MET . 19.6 pt -118.51 -44.42 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.43 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.445 ' N ' HG13 ' A' ' 71' ' ' ILE . 50.2 ttm -168.49 149.25 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.656 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.553 HD12 ' HG2' ' B' ' 45' ' ' GLU . 6.5 mm -113.55 134.6 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.153 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.505 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 57.4 m-85 -114.55 133.49 55.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.171 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.419 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 33.6 tt0 -98.62 92.84 5.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.159 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.09 0.471 . . . . 0.0 111.239 -179.743 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 74' ' ' PHE . 51.0 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.723 0.297 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 22.3 ttt -113.55 125.8 54.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.553 ' HG2' HD12 ' A' ' 73' ' ' ILE . 32.5 mt-10 -78.88 139.88 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.548 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 15.4 m -124.89 146.17 52.41 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.585 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 77.0 Cg_endo -101.53 154.81 0.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.332 2.688 . . . . 0.0 112.382 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.25 145.82 98.0 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.4 -53.59 1.8 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.429 2.086 . . . . 0.0 112.415 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -148.82 158.83 44.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.872 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.75 134.06 50.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' GLY . . . . . 0.459 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . -163.18 -164.35 18.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 t -123.06 130.38 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 111.02 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.42 HG22 ' SD ' ' B' ' 72' ' ' MET . 89.6 t -73.68 104.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.104 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' B' ' 56' ' ' GLU . 18.8 ptpt -84.62 -46.94 11.02 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' B' ' 55' ' ' LYS . 39.3 tt0 -162.87 119.78 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -58.34 150.23 22.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -118.52 -5.28 10.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 26.1 m -123.94 146.31 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -108.98 149.44 29.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.719 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 35.3 t -63.06 119.8 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.21 -22.73 32.29 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.611 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -76.9 113.6 14.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.705 0.288 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -52.09 149.55 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.459 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.427 HG11 ' CE1' ' A' ' 74' ' ' PHE . 4.9 p -111.77 161.84 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.824 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -144.41 149.35 35.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.937 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 19.6 m -65.49 122.53 17.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.32 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.89 -16.37 25.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.591 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 96.0 p -88.07 157.43 18.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.896 0.379 . . . . 0.0 111.069 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.431 ' N ' HD12 ' B' ' 70' ' ' LEU . 7.4 mp -80.08 147.04 31.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.439 HG13 ' N ' ' B' ' 72' ' ' MET . 20.1 pt -118.3 -45.32 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.289 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.439 ' N ' HG13 ' B' ' 71' ' ' ILE . 49.7 ttm -168.69 148.43 4.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.53 HD12 ' HG2' ' A' ' 45' ' ' GLU . 4.5 mm -111.49 139.38 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.819 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.459 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 53.3 m-85 -120.77 129.06 53.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.941 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 31.4 tt0 -94.11 92.99 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.194 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.552 ' HB3' ' HG2' ' B' ' 75' ' ' GLU . 82.8 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.654 0.264 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 47.0 tpp -161.72 119.56 2.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.877 0.37 . . . . 0.0 111.165 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.95 140.78 51.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.669 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.458 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 34.0 m -120.91 141.18 32.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.335 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 72.9 Cg_endo -101.61 171.48 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.293 2.662 . . . . 0.0 112.58 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.79 134.69 43.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.77 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -63.64 -52.46 1.84 Allowed 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.393 2.062 . . . . 0.0 112.458 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -141.06 152.09 44.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.16 164.46 6.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 162.7 166.29 21.23 Favored Glycine 0 C--N 1.33 0.202 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.885 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.455 HG22 ' HG2' ' B' ' 64' ' ' LYS . 35.1 t -101.01 130.93 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.822 0.344 . . . . 0.0 110.992 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.0 t -71.67 109.77 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -102.62 -32.89 9.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.838 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -165.67 135.6 3.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.298 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.516 ' H ' HD23 ' A' ' 57' ' ' LEU . 2.1 pt? -126.94 163.37 23.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.569 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -121.97 19.36 10.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.254 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.99 147.09 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.197 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -124.98 150.67 46.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.671 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.3 t -62.45 121.13 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.35 -6.07 45.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.544 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -97.48 124.97 41.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 0.0 111.188 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HG2' HG22 ' B' ' 53' ' ' VAL . 95.0 mttt -55.9 174.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.508 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.56 159.24 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.828 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -142.23 154.89 45.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.6 p -63.83 129.96 42.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.12 -6.9 60.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.542 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.1 t -95.15 133.07 39.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.3 mt -69.87 139.32 53.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.779 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.543 HG13 ' H ' ' A' ' 72' ' ' MET . 19.3 pt -106.63 -53.18 6.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.653 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.543 ' H ' HG13 ' A' ' 71' ' ' ILE . 63.9 mtt -148.68 161.11 42.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.862 0.363 . . . . 0.0 111.05 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.6 mt -134.13 124.86 47.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.632 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -103.59 159.13 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 111.258 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.535 ' HG2' ' HB3' ' B' ' 43' ' ' SER . 1.4 tm-20 -142.15 93.01 2.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.872 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.4 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.463 -179.372 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.535 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 80.0 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.668 0.271 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 47.3 tpp -158.67 122.38 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 111.172 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.15 140.75 45.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.616 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 34.9 m -120.34 140.88 30.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.427 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -101.75 173.15 0.27 Allowed 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.274 2.65 . . . . 0.0 112.362 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.15 134.7 40.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.421 ' HG3' HG11 ' A' ' 46' ' ' VAL . 30.7 Cg_endo -63.95 -52.17 1.86 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.279 1.986 . . . . 0.0 112.402 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -141.4 152.51 44.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.72 164.96 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.08 170.27 25.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.562 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.442 HG22 ' HG2' ' A' ' 64' ' ' LYS . 39.6 t -101.72 134.14 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.368 . . . . 0.0 111.372 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.44 109.46 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.251 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -102.24 -36.05 8.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -161.6 141.73 10.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.453 HD23 ' H ' ' B' ' 57' ' ' LEU . 2.2 pt? -133.34 162.83 30.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.387 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -122.07 19.59 10.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.219 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 29.5 m -125.89 146.29 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.256 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -124.93 151.28 45.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.644 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.07 120.74 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.42 -8.69 41.12 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.596 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.65 130.85 40.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.455 ' HG2' HG22 ' A' ' 53' ' ' VAL . 95.7 mttt -61.71 176.76 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.089 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.27 159.83 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -143.98 155.65 44.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.968 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 72.3 p -64.74 130.11 42.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.091 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.78 -6.17 60.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.439 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 46.9 t -95.93 132.58 41.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 78.1 mt -69.79 139.02 53.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.514 HG13 ' N ' ' B' ' 72' ' ' MET . 19.6 pt -106.33 -51.73 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.46 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.514 ' N ' HG13 ' B' ' 71' ' ' ILE . 65.1 mtt -150.43 161.96 41.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.896 0.379 . . . . 0.0 111.229 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 39.8 mt -135.25 127.85 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.329 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -107.6 160.29 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.928 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.552 ' HG2' ' HB3' ' A' ' 43' ' ' SER . 1.7 tm-20 -142.79 92.98 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.942 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.204 -179.263 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 83.3 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.767 0.318 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.3 tpp -149.85 119.12 6.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.414 ' HG3' HG12 ' B' ' 73' ' ' ILE . 2.6 mp0 -71.29 154.21 41.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.823 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.429 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 35.8 m -127.9 138.29 32.6 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.561 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 64.7 Cg_endo -101.52 159.56 0.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.231 2.621 . . . . 0.0 112.634 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.36 130.89 85.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.82 -37.8 33.31 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.351 2.034 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -150.0 145.87 26.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.4 157.76 22.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.767 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.04 -165.96 38.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.996 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.0 t -120.59 139.01 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.682 0.277 . . . . 0.0 110.783 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.5 t -71.76 108.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.012 0.434 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -66.77 -63.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.039 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -162.35 141.59 9.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.92 132.01 52.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.642 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -120.6 -5.72 9.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.097 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.7 m -135.33 139.74 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 111.096 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -91.03 147.93 22.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.3 t -65.09 127.61 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.43 1.08 60.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.444 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -94.71 106.88 18.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 111.018 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -48.32 148.75 1.77 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.964 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 66' ' ' LYS . 3.4 p -109.73 164.68 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.291 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.403 ' H ' HG22 ' A' ' 65' ' ' VAL . 38.6 mtmm -142.06 154.17 44.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.591 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.3 p -65.82 122.37 17.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.117 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.18 -5.03 30.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.679 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.5 p -112.4 122.07 46.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.788 0.327 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.577 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 2.7 pt? -60.69 155.97 17.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 72' ' ' MET . 22.0 pt -117.18 -43.76 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.313 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.45 ' N ' HG13 ' A' ' 71' ' ' ILE . 89.6 mtp -144.06 166.21 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.806 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.406 HG12 ' HG3' ' B' ' 45' ' ' GLU . 36.8 mt -137.12 129.31 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.986 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -109.81 161.67 15.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.459 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.456 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 0.8 OUTLIER -130.18 92.75 3.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.028 179.415 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.186 -179.756 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.456 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 79.0 p . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.759 0.314 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 51.5 tpp -140.72 122.6 15.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.406 ' HG3' HG12 ' A' ' 73' ' ' ILE . 2.6 mp0 -74.46 153.48 39.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.526 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 26.8 m -126.21 137.74 30.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.971 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.577 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 75.8 Cg_endo -101.44 162.73 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.175 2.583 . . . . 0.0 112.643 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.91 130.39 81.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.86 -38.85 21.78 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.352 2.035 . . . . 0.0 112.488 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -149.05 145.83 27.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.811 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.33 157.51 31.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.19 -162.34 35.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 40.1 t -121.7 139.75 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.878 0.371 . . . . 0.0 111.273 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.56 108.47 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.095 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -66.52 -65.25 0.7 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.042 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -160.97 142.56 11.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.28 132.49 54.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.67 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -120.68 -7.36 9.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.19 139.91 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.113 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -91.6 147.56 22.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 39.8 t -65.13 126.84 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.36 -0.92 58.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.364 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -93.07 111.16 22.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.68 0.276 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -52.47 149.57 5.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 p -109.2 164.43 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.21 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -143.48 154.88 44.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.784 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 62.3 p -66.52 120.22 13.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.57 -8.9 24.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.636 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 89.6 p -109.68 124.8 51.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 2.7 pt? -63.75 157.66 23.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.444 HG13 ' N ' ' B' ' 72' ' ' MET . 23.7 pt -118.01 -42.69 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.353 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.444 ' N ' HG13 ' B' ' 71' ' ' ILE . 88.0 mtp -145.91 166.19 26.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.414 HG12 ' HG3' ' A' ' 45' ' ' GLU . 22.6 mt -136.73 134.84 48.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.563 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -115.54 161.27 18.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.955 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.501 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 1.0 OUTLIER -129.9 93.49 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.094 179.635 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.266 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.654 0.264 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 87.6 mtp -131.16 119.51 22.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.109 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.558 ' HB3' HD23 ' B' ' 70' ' ' LEU . 29.9 mt-10 -69.19 146.44 52.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.691 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.3 m -123.49 140.22 33.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.296 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.565 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 69.8 Cg_endo -102.08 166.87 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.307 2.671 . . . . 0.0 112.611 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.38 150.37 57.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.09 -43.81 0.68 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.487 2.124 . . . . 0.0 112.932 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.504 ' HA ' HG22 ' B' ' 67' ' ' THR . 37.5 p90 -150.05 158.55 44.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.794 0.331 . . . . 0.0 111.126 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.6 156.98 21.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.754 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.84 -170.92 43.98 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.945 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -128.08 124.86 63.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.7 0.286 . . . . 0.0 110.736 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -74.25 103.08 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -123.52 -6.47 8.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.215 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -163.33 110.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.893 0.378 . . . . 0.0 111.258 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 pp -95.67 172.06 8.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.776 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -128.03 -18.81 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.298 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.1 m -125.45 142.25 42.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.831 0.348 . . . . 0.0 111.604 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -99.66 151.19 21.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.3 t -53.69 126.28 9.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.313 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.36 14.03 39.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.398 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -109.05 115.23 29.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.959 0.409 . . . . 0.0 111.043 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -50.52 156.59 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.341 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 p -120.5 157.52 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -140.7 149.46 42.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.475 HG22 ' HA ' ' B' ' 50' ' ' PHE . 41.5 p -58.48 119.64 7.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.175 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.71 2.9 52.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.588 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 65.1 m -103.41 145.78 29.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.757 0.313 . . . . 0.0 110.78 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.57 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 8.5 mp -81.8 171.56 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.59 HG13 ' H ' ' A' ' 72' ' ' MET . 10.0 pt -132.1 -55.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.476 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.59 ' H ' HG13 ' A' ' 71' ' ' ILE . 66.3 mtt -146.96 174.59 11.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.875 0.369 . . . . 0.0 111.21 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.439 HG12 ' HG2' ' B' ' 45' ' ' GLU . 35.7 mt -130.98 129.74 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -106.13 141.53 37.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.624 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -90.36 93.84 9.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.635 178.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.271 -178.928 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.61 0.243 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 88.2 mtp -122.42 123.42 41.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.555 ' HB3' HD23 ' A' ' 70' ' ' LEU . 35.9 mt-10 -72.48 146.52 46.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 26.8 m -122.9 139.64 31.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.414 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.57 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 91.7 Cg_endo -101.77 169.98 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.201 2.6 . . . . 0.0 112.537 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.47 149.03 48.18 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.42 -43.86 0.91 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.432 2.088 . . . . 0.0 112.65 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.475 ' HA ' HG22 ' A' ' 67' ' ' THR . 39.3 p90 -150.19 161.79 41.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.885 0.374 . . . . 0.0 111.115 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.92 156.46 39.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.28 -163.76 35.37 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.323 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -129.0 132.26 67.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 111.457 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.9 t -79.74 103.72 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.831 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -125.37 -6.15 7.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.359 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -162.68 111.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 111.119 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.71 171.49 8.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -127.5 -18.5 4.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.39 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.69 142.72 41.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.885 0.374 . . . . 0.0 111.493 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -100.15 151.31 21.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.656 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -54.26 126.84 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.68 9.41 49.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -104.45 120.3 40.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.793 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -55.94 156.11 5.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.075 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.81 159.49 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.784 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -143.97 149.61 37.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 50' ' ' PHE . 67.3 p -58.5 120.18 8.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.265 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.04 1.21 51.63 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.8 m -102.62 145.51 29.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.565 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 8.1 mp -82.12 170.33 15.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.558 HG13 ' H ' ' B' ' 72' ' ' MET . 11.1 pt -131.36 -54.34 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.717 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.558 ' H ' HG13 ' B' ' 71' ' ' ILE . 67.3 mtt -148.26 174.02 12.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.959 0.409 . . . . 0.0 111.091 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 36.3 mt -129.33 136.07 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.359 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -113.44 137.89 50.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.767 0.318 . . . . 0.0 111.188 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -86.83 92.34 8.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.939 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.188 -179.503 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.616 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 80.2 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.756 0.312 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 54.7 ttp -132.55 119.46 20.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.459 ' HB2' HD12 ' B' ' 70' ' ' LEU . 11.4 pt-20 -77.98 131.45 37.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.635 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 27.4 m -110.42 146.98 35.42 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.244 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 60.6 Cg_endo -101.55 165.85 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.28 2.653 . . . . 0.0 112.376 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.24 142.37 89.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.415 ' HG3' HG11 ' B' ' 46' ' ' VAL . 41.9 Cg_endo -67.19 -44.53 4.84 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.554 2.17 . . . . 0.0 112.509 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -149.89 151.97 34.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.013 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.76 136.99 57.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.289 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.564 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -166.16 -174.59 35.73 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.112 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.515 HG22 ' HG3' ' B' ' 64' ' ' LYS . 36.9 t -128.63 143.47 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.654 0.264 . . . . 0.0 110.465 179.447 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.571 HG11 ' H ' ' B' ' 62' ' ' GLY . 94.1 t -71.62 110.64 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -99.39 -41.87 7.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -148.08 132.88 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.148 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.2 tp -85.04 142.38 29.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.973 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -134.01 1.77 3.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.279 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.7 m -139.11 142.78 32.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.928 0.394 . . . . 0.0 111.328 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -103.12 151.26 22.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.785 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.2 125.26 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.847 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.621 ' H ' HG11 ' B' ' 54' ' ' VAL . . . 90.35 8.09 66.64 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.125 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -98.37 113.66 25.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 111.114 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.529 ' HG3' HG22 ' B' ' 53' ' ' VAL . 88.2 tttt -45.21 141.17 2.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.385 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 66' ' ' LYS . 9.5 p -109.52 162.59 7.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.941 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' N ' HG22 ' A' ' 65' ' ' VAL . 68.7 mttm -143.1 148.41 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.851 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.8 m -62.69 120.59 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.11 -14.36 31.16 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.444 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.1 t -86.34 148.1 25.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' B' ' 45' ' ' GLU . 3.6 mm? -75.28 133.6 41.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.797 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.557 HG13 ' H ' ' A' ' 72' ' ' MET . 13.5 pt -108.11 -52.8 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.426 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.557 ' H ' HG13 ' A' ' 71' ' ' ILE . 26.1 mmt -148.65 156.76 42.83 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.3 mp -131.83 129.65 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.378 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.564 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 23.4 m-85 -121.28 139.31 53.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.536 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.614 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 38.6 tt0 -103.09 92.39 4.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.935 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.375 -179.336 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.614 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 80.7 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.707 0.289 . . . . 0.0 111.364 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 57.3 ttp -129.9 119.97 24.13 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.981 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.445 ' HB2' HD12 ' A' ' 70' ' ' LEU . 10.4 pt-20 -78.17 133.24 37.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.793 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.415 HG11 ' HG3' ' A' ' 49' ' ' PRO . 20.6 m -111.12 145.91 33.44 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.323 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -101.6 166.14 0.33 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.159 2.572 . . . . 0.0 112.275 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.72 142.68 88.73 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.421 ' HG3' HG11 ' A' ' 46' ' ' VAL . 39.7 Cg_endo -67.15 -45.43 3.91 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.389 2.06 . . . . 0.0 112.551 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -149.19 156.15 41.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.21 136.99 56.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' GLY . . . . . 0.569 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . -169.12 -168.91 31.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.525 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.529 HG22 ' HG3' ' A' ' 64' ' ' LYS . 24.2 t -129.7 146.57 33.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 111.467 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.621 HG11 ' H ' ' A' ' 62' ' ' GLY . 70.6 t -71.66 112.68 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -103.11 -39.68 6.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.064 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -149.48 134.18 17.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 57.0 tp -86.9 141.59 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.737 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -133.27 1.99 3.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.29 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 31.5 m -139.11 142.28 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 111.406 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -103.1 149.64 24.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.763 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 42.2 t -65.38 125.86 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLY . . . . . 0.571 ' H ' HG11 ' A' ' 54' ' ' VAL . . . 91.98 3.1 68.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.077 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.24 121.01 34.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.31 . . . . 0.0 110.79 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.515 ' HG3' HG22 ' A' ' 53' ' ' VAL . 88.1 tttt -52.79 141.99 19.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.061 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.433 HG11 ' CZ ' ' A' ' 74' ' ' PHE . 5.6 p -108.74 162.04 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.07 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -144.16 150.72 38.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.905 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.3 m -64.54 121.03 13.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.78 -14.59 31.97 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.567 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 41.8 t -85.82 148.56 25.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.459 HD12 ' HB2' ' A' ' 45' ' ' GLU . 3.5 mm? -76.2 134.43 39.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.546 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.545 HG13 ' H ' ' B' ' 72' ' ' MET . 14.2 pt -109.12 -52.63 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.484 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.545 ' H ' HG13 ' B' ' 71' ' ' ILE . 25.4 mmt -149.12 155.58 40.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.899 0.38 . . . . 0.0 111.124 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.436 ' N ' HD12 ' B' ' 73' ' ' ILE . 4.2 mp -129.39 133.33 65.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.061 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.569 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 24.2 m-85 -125.09 135.56 52.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.609 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.616 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 33.1 tt0 -99.94 92.65 5.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.31 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.279 -179.795 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.618 ' HB3' ' HG3' ' B' ' 75' ' ' GLU . 82.3 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.518 0.199 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 94.9 mmm -148.29 123.7 10.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.87 0.367 . . . . 0.0 111.312 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.2 150.45 42.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.528 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.45 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 27.3 m -127.49 138.89 33.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.204 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 87.5 Cg_endo -101.84 168.8 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.314 2.676 . . . . 0.0 112.453 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.91 134.1 68.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -68.04 -44.53 3.76 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.318 2.012 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -145.29 142.58 29.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.72 141.63 37.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.579 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.16 -162.12 15.59 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.945 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 61.7 t -134.9 137.14 51.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.743 0.306 . . . . 0.0 110.501 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.69 106.13 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.016 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.93 -56.61 3.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.85 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -155.8 112.34 3.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.459 HD13 HG21 ' B' ' 61' ' ' VAL . 2.1 pt? -57.42 151.7 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -111.34 -22.6 11.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.91 144.27 35.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -97.72 145.99 25.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.455 HG21 HD13 ' B' ' 57' ' ' LEU . 41.1 t -62.33 127.74 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.99 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.28 -4.8 31.53 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.633 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -107.46 117.69 34.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.753 0.311 . . . . 0.0 111.085 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -51.19 153.97 1.8 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.8 p -111.1 161.67 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.204 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -141.68 139.41 32.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.659 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.4 m -58.25 126.19 26.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.7 -15.83 23.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.369 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -96.1 164.09 12.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 70' ' ' LEU . 7.5 mp -89.6 154.56 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.754 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.501 HG13 ' N ' ' A' ' 72' ' ' MET . 16.7 pt -122.76 -51.32 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.28 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.501 ' N ' HG13 ' A' ' 71' ' ' ILE . 72.0 mtm -150.8 163.22 39.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.888 0.375 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.1 mt -136.41 129.13 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.417 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -107.8 161.14 15.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.103 0.477 . . . . 0.0 111.597 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.48 ' HG3' ' HB3' ' B' ' 43' ' ' SER . 34.3 tt0 -135.6 92.28 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.741 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.197 -179.456 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.48 ' HB3' ' HG3' ' A' ' 75' ' ' GLU . 78.2 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.638 0.256 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 95.1 mmm -143.65 128.1 17.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.277 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.94 150.49 34.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.622 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.471 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.8 m -126.75 138.62 32.92 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.436 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 68.6 Cg_endo -101.66 171.6 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.225 2.616 . . . . 0.0 112.179 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.47 134.66 57.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.816 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.87 -42.95 3.9 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.375 2.05 . . . . 0.0 112.558 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -147.0 143.65 28.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.74 140.24 56.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.69 -157.57 10.08 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.651 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.3 t -135.73 139.0 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 111.006 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.2 t -72.47 106.0 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.045 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.75 -58.23 2.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -154.33 113.43 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.717 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.455 HD13 HG21 ' A' ' 61' ' ' VAL . 2.1 pt? -58.17 151.62 18.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -110.8 -23.12 11.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.81 143.45 38.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.195 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -96.74 146.96 24.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.756 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.459 HG21 HD13 ' A' ' 57' ' ' LEU . 44.1 t -63.68 127.64 24.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.062 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.77 -5.09 30.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -106.86 119.08 38.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.755 0.312 . . . . 0.0 110.763 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 24.7 pttm -52.31 153.92 2.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.07 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 p -109.81 163.07 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.095 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -144.27 139.01 28.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.707 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 28.6 m -57.87 127.3 31.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.84 -14.94 29.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.585 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.4 m -96.81 165.28 12.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.43 ' N ' HD12 ' B' ' 70' ' ' LEU . 7.6 mp -91.52 153.02 20.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.492 HG13 ' N ' ' B' ' 72' ' ' MET . 16.6 pt -121.48 -51.4 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.309 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.492 ' N ' HG13 ' B' ' 71' ' ' ILE . 73.5 mtm -151.17 163.27 39.22 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.008 0.432 . . . . 0.0 111.156 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.8 mt -135.7 133.79 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.182 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -113.36 160.23 18.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.823 0.344 . . . . 0.0 111.241 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.618 ' HG3' ' HB3' ' A' ' 43' ' ' SER . 25.7 tt0 -134.16 92.52 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.001 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 -179.506 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.493 ' HB3' ' HA ' ' B' ' 75' ' ' GLU . 83.1 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.715 0.293 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.7 ttm -156.12 128.08 7.44 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.953 0.406 . . . . 0.0 111.321 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -77.65 120.58 22.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.682 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.423 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 34.7 m -87.73 138.9 31.27 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.051 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.495 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 69.5 Cg_endo -101.87 173.64 0.25 Allowed 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.257 2.638 . . . . 0.0 112.443 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.64 129.04 56.43 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.58 -39.94 41.24 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.427 2.085 . . . . 0.0 112.46 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -146.62 148.53 32.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.026 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.37 163.15 8.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.22 -159.8 30.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.308 -0.948 . . . . 0.0 113.017 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.9 t -128.19 127.38 67.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.66 0.267 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.8 t -74.14 110.59 8.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -96.32 -53.71 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -160.55 131.44 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.005 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 59' ' ' VAL . 4.2 pp -74.83 -179.93 4.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.878 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -125.64 -20.58 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.811 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.416 ' O ' HD13 ' A' ' 57' ' ' LEU . 30.2 m -126.86 140.01 50.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.181 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -90.99 150.84 21.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.6 t -59.03 121.85 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.23 -16.81 19.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.371 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -91.36 118.51 30.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -52.8 159.47 1.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 66' ' ' LYS . 9.9 p -118.27 159.3 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' N ' HG22 ' A' ' 65' ' ' VAL . 98.0 mttt -139.66 136.79 34.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.5 m -55.11 125.48 20.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.035 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.13 -15.41 20.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.285 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 65.2 m -97.02 169.22 9.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 110.677 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.505 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 3.4 mm? -95.94 158.67 15.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.7 pt -130.07 -29.27 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.351 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 54.0 tpp -159.7 153.63 23.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.426 HD12 ' N ' ' A' ' 73' ' ' ILE . 4.1 mp -131.44 129.34 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.615 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -109.75 148.48 31.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 111.853 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.415 ' HA ' ' HB3' ' B' ' 43' ' ' SER . 43.8 tt0 -121.17 92.64 3.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.916 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.373 -179.358 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.415 ' HB3' ' HA ' ' A' ' 75' ' ' GLU . 80.6 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.621 0.248 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 52.1 ttm -153.8 131.5 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.003 0.43 . . . . 0.0 111.254 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -81.0 121.62 26.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.649 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.451 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.5 m -87.89 138.5 31.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.318 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.505 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 63.5 Cg_endo -101.79 175.42 0.23 Allowed 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.301 2.667 . . . . 0.0 112.385 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.88 128.22 56.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.044 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -62.79 -38.68 47.26 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.392 2.061 . . . . 0.0 112.492 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -148.26 150.11 33.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.017 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.74 160.53 27.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.972 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.2 -152.34 14.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.95 132.68 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.9 t -78.52 110.61 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.999 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -96.33 -56.04 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -158.24 133.35 8.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.424 HD13 ' O ' ' B' ' 59' ' ' VAL . 4.3 pp -76.7 179.16 6.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.8 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -124.21 -21.86 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.968 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.424 ' O ' HD13 ' B' ' 57' ' ' LEU . 29.5 m -125.85 139.77 50.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.894 0.378 . . . . 0.0 111.404 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -90.27 151.02 21.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.769 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 51.5 t -59.33 122.05 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.88 -19.92 15.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.421 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.32 122.34 31.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.778 0.323 . . . . 0.0 110.742 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -56.74 159.95 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.021 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.409 HG22 ' N ' ' B' ' 66' ' ' LYS . 7.0 p -117.23 161.75 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.409 ' N ' HG22 ' B' ' 65' ' ' VAL . 98.4 mttt -143.21 138.26 29.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 22.3 m -55.93 125.9 23.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.89 -16.82 20.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.321 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 49.3 m -96.01 168.56 10.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 110.844 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.495 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 3.4 mm? -95.8 159.24 15.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 40.3 pt -131.17 -27.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.366 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 54.2 tpp -163.25 151.73 14.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.025 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.446 HD12 ' N ' ' B' ' 73' ' ' ILE . 3.9 mp -128.41 136.1 60.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.204 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -117.67 142.86 46.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.832 0.348 . . . . 0.0 111.415 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.493 ' HA ' ' HB3' ' A' ' 43' ' ' SER . 41.4 tt0 -115.46 94.55 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.875 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.811 -178.619 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.688 0.28 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 49.3 tpp -132.47 119.4 20.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.847 0.356 . . . . 0.0 111.099 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.451 ' HG2' HG12 ' B' ' 73' ' ' ILE . 24.3 mt-10 -75.59 151.49 37.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.545 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.7 m -121.05 142.47 34.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.187 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 81.5 Cg_endo -101.68 145.26 0.26 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.232 2.622 . . . . 0.0 112.248 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.79 138.63 97.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.273 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.57 -39.8 8.65 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.435 2.09 . . . . 0.0 112.412 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -147.65 153.66 39.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.503 ' HA ' HG13 ' B' ' 65' ' ' VAL . . . -67.99 156.84 36.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . 168.69 171.47 34.53 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 120.132 -1.032 . . . . 0.0 113.41 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.0 t -97.87 132.07 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.988 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -74.33 127.9 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HD2' ' HB2' ' A' ' 75' ' ' GLU . 57.6 mtpt -103.72 -45.0 4.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.745 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.581 ' HG2' ' H ' ' A' ' 58' ' ' LYS . 34.9 tt0 -144.44 140.19 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 58' ' ' LYS . 2.8 pp -61.89 -33.57 74.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.038 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.582 ' HE3' ' HB2' ' A' ' 70' ' ' LEU . 10.0 tmtt? 74.26 -41.89 0.49 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.686 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.408 ' O ' HD13 ' A' ' 57' ' ' LEU . 35.6 m -132.84 149.01 31.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.827 0.346 . . . . 0.0 111.463 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -87.82 151.34 22.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.535 HG21 HD23 ' B' ' 57' ' ' LEU . 21.3 t -56.48 125.02 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.64 19.4 32.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -104.23 111.42 24.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -48.01 158.5 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.359 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.448 HG13 ' HA ' ' B' ' 51' ' ' ALA . 6.7 p -130.35 160.43 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.999 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -143.29 159.27 42.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.842 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.5 p -61.33 116.81 4.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.25 -1.58 35.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.552 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.2 t -98.33 130.96 44.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.737 0.303 . . . . 0.0 110.808 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.582 ' HB2' ' HE3' ' A' ' 58' ' ' LYS . 3.3 mm? -69.56 159.27 33.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.635 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 72' ' ' MET . 27.2 pt -134.12 -41.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.749 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.431 ' N ' HG13 ' A' ' 71' ' ' ILE . 62.9 mtt -145.09 158.43 43.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.032 0.444 . . . . 0.0 111.294 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.457 HG12 ' HG2' ' B' ' 45' ' ' GLU . 24.6 mt -132.57 122.43 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.163 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.463 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 82.1 m-85 -109.76 139.31 44.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.95 0.405 . . . . 0.0 111.802 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HB2' ' HD2' ' A' ' 55' ' ' LYS . 42.5 tt0 -84.33 92.71 8.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.602 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.349 -179.02 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.619 0.247 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 47.1 tpp -128.64 119.88 25.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.083 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.457 ' HG2' HG12 ' A' ' 73' ' ' ILE . 31.2 mt-10 -75.25 151.8 38.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.595 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.7 m -122.18 141.77 35.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.249 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 79.2 Cg_endo -101.16 147.74 0.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.082 2.521 . . . . 0.0 112.6 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.49 138.55 97.48 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.34 -38.18 9.1 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.373 2.049 . . . . 0.0 112.556 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -149.37 155.0 39.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.969 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.448 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -73.05 151.66 41.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.993 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' GLY . . . . . 0.456 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . 172.84 176.08 41.19 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.51 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.4 t -98.19 135.69 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.277 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.2 t -76.77 127.69 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.493 ' HD2' ' HB2' ' B' ' 75' ' ' GLU . 57.3 mtpt -104.8 -44.83 4.74 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.598 ' HG2' ' H ' ' B' ' 58' ' ' LYS . 34.3 tt0 -144.59 141.41 29.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.057 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.535 HD23 HG21 ' A' ' 61' ' ' VAL . 2.3 pp -63.08 -33.33 75.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' LYS . . . . . 0.598 ' H ' ' HG2' ' B' ' 56' ' ' GLU . 9.8 tmtt? 74.02 -41.6 0.49 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.471 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.1 m -132.68 149.28 31.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 111.5 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -88.14 151.59 22.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.537 HG21 HD23 ' A' ' 57' ' ' LEU . 21.1 t -57.61 124.3 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.221 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.95 16.15 36.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -101.36 117.16 34.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.7 0.286 . . . . 0.0 110.729 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -53.07 160.96 0.9 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.503 HG13 ' HA ' ' A' ' 51' ' ' ALA . 4.4 p -131.68 159.76 42.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.99 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -144.66 159.59 42.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.087 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 74.5 p -61.09 117.68 5.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.191 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.28 -2.14 37.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.559 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 41.3 t -98.39 130.47 45.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.827 0.346 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.583 ' HB2' ' HE3' ' B' ' 58' ' ' LYS . 3.3 mm? -69.27 159.37 33.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.586 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.4 HG13 ' N ' ' B' ' 72' ' ' MET . 29.1 pt -134.52 -39.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.667 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.4 ' N ' HG13 ' B' ' 71' ' ' ILE . 63.0 mtt -147.07 158.19 43.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.015 0.436 . . . . 0.0 111.499 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.451 HG12 ' HG2' ' A' ' 45' ' ' GLU . 17.1 mt -132.01 124.91 53.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.843 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.456 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 66.2 m-85 -112.55 136.34 52.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 111.489 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.493 ' HB2' ' HD2' ' B' ' 55' ' ' LYS . 40.3 tt0 -80.95 92.13 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.879 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.243 -179.579 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.0 ttm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.7 t -122.62 139.76 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? 64.44 117.52 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.076 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -56.1 146.05 24.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -153.2 152.96 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -61.86 158.61 15.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.975 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.2 m -76.01 152.37 84.41 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.186 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.82 148.8 86.83 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.624 2.216 . . . . 0.0 112.374 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -62.71 -36.07 81.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.744 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.2 pt -129.36 147.71 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.9 p -150.99 -18.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.47 156.46 13.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.074 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.0 m -125.19 165.37 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.7 t -140.65 157.52 45.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.81 6.86 5.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.808 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.7 t -70.0 -58.77 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.198 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 94.0 mmm 58.17 -171.15 0.11 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.6 m -82.73 164.9 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.007 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -123.41 7.06 8.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.777 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -87.93 -31.71 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.29 8.63 77.3 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.657 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.5 148.1 49.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 111.154 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -139.65 128.3 23.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.75 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 m -134.07 -20.23 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.284 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.99 102.47 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -170.21 149.92 3.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 57.63 -160.94 0.23 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.988 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 62.59 19.44 11.29 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.169 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.7 p -156.49 -75.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.088 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 34' ' ' LEU . 8.1 mp 61.32 162.96 0.07 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.131 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.2 mt 58.99 101.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.46 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.9 p -121.36 177.24 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.032 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.9 t -107.44 -79.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -139.29 -71.56 0.4 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 156.64 169.48 20.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.577 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -161.74 153.08 18.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.733 0.302 . . . . 0.0 110.767 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -55.47 -84.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -164.19 -98.59 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 120.758 0.313 . . . . 0.0 110.896 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 84.4 p -58.8 133.01 55.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.82 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.3 ttp -152.46 120.43 6.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.88 0.372 . . . . 0.0 111.174 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.553 ' HB3' HD23 ' B' ' 70' ' ' LEU . 26.3 mt-10 -68.81 152.01 45.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.834 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.54 143.45 48.38 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.185 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 65.7 Cg_endo -101.93 165.32 0.32 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.22 2.613 . . . . 0.0 112.491 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.03 143.46 61.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.071 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.74 -43.1 2.87 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.518 2.145 . . . . 0.0 112.566 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -149.37 158.41 44.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.0 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.86 140.25 57.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.409 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.02 -165.97 23.21 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.059 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.472 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 61.8 t -134.28 131.45 55.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.727 0.299 . . . . 0.0 110.465 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.519 HG11 ' HA ' ' B' ' 61' ' ' VAL . 90.6 t -71.49 100.64 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.812 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -93.13 -40.51 10.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -149.71 127.02 11.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.899 0.38 . . . . 0.0 111.319 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.4 tp -83.34 150.17 26.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.58 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -113.96 -37.05 4.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.468 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.7 m -118.4 139.95 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.898 0.38 . . . . 0.0 111.306 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -100.88 151.51 21.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.025 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.487 ' HA ' HG11 ' B' ' 54' ' ' VAL . 60.8 t -52.34 135.12 13.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.057 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.54 -11.42 61.33 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.351 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -95.99 106.61 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.734 0.302 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' B' ' 53' ' ' VAL . 19.2 ptpt -51.92 151.71 3.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.407 HG22 ' N ' ' A' ' 66' ' ' LYS . 8.0 p -109.17 163.03 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.938 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.407 ' N ' HG22 ' A' ' 65' ' ' VAL . 67.7 mttm -138.28 147.82 44.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.874 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.3 m -66.74 122.92 18.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.092 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.41 -15.53 22.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.615 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.0 p -96.1 175.66 6.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' B' ' 45' ' ' GLU . 5.0 mp -100.63 168.76 9.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.645 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.461 HG13 ' H ' ' A' ' 72' ' ' MET . 12.8 pt -133.3 -50.35 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.673 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.461 ' H ' HG13 ' A' ' 71' ' ' ILE . 72.9 mtm -148.35 168.68 21.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.834 0.35 . . . . 0.0 111.041 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.1 mt -135.49 129.31 49.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -109.27 161.07 15.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.368 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 1.0 OUTLIER -133.56 92.58 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.008 179.243 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 p -90.28 120.71 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.231 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -126.65 97.84 5.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.56 -129.42 46.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.574 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.17 146.85 30.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 111.074 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.07 146.92 98.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 110.94 2.69 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.325 2.016 . . . . 0.0 112.301 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.03 111.92 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.4 -55.85 0.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.58 ' HB3' ' HD3' ' A' ' 85' ' ' PRO . . . -167.29 -50.28 0.0 OUTLIER Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.755 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 84' ' ' ALA . 54.5 Cg_exo -52.57 134.74 53.9 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.125 1.883 . . . . 0.0 112.421 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -148.17 -41.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.267 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -137.28 112.42 9.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.995 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.12 169.67 22.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.914 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.5 mtt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.9 m -99.08 4.35 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -75.16 159.31 31.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -71.1 -11.54 61.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.5 t -107.73 114.95 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -147.34 143.92 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' B' ' 8' ' ' PRO . 35.6 m -100.27 144.81 29.13 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.07 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 7' ' ' VAL . 14.1 Cg_exo -69.45 163.4 38.17 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.64 2.227 . . . . 0.0 112.377 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -123.82 -35.25 2.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.545 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.584 HG23 HG12 ' B' ' 15' ' ' VAL . 15.9 tt -166.38 -24.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.533 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.71 HG22 ' H ' ' B' ' 17' ' ' VAL . 7.1 p -159.43 126.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.809 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -89.87 -1.18 57.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.987 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.71 ' H ' HG22 ' B' ' 15' ' ' VAL . 50.9 t 60.95 95.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.362 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 80.5 m -156.93 101.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.713 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 59.87 15.43 4.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.808 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -85.0 139.39 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.117 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 25.9 ttt -165.36 -40.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.7 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 15.0 p -111.83 -28.76 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt 56.54 94.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 t -96.08 -78.45 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.311 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.12 -139.58 47.78 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.355 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -112.17 120.72 42.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -152.65 105.37 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 59.9 t -81.65 -72.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 60.98 173.54 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.408 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.55 138.19 58.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.64 137.0 45.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -120.15 -5.6 9.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.067 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 78.8 p -97.44 156.89 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.003 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.467 ' N ' HD12 ' B' ' 34' ' ' LEU . 6.7 mp -77.51 -22.55 51.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.685 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 43.2 mt 61.03 92.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.576 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' THR . . . . . 0.407 HG22 HG13 ' B' ' 37' ' ' VAL . 27.9 m 52.82 -91.67 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.803 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.407 HG13 HG22 ' B' ' 36' ' ' THR . 27.4 m -92.38 -176.3 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.859 0.362 . . . . 0.0 111.299 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.32 154.01 41.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.058 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -103.22 -69.39 0.81 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.406 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -145.18 119.76 9.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.736 0.303 . . . . 0.0 110.812 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -170.12 89.94 0.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.752 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.61 -92.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 79.2 p -68.15 127.4 32.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 57.4 ttp -143.11 124.99 15.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.531 ' HB3' HD23 ' A' ' 70' ' ' LEU . 32.3 mt-10 -71.89 152.34 42.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.642 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 34.8 m -128.67 142.54 45.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.378 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.511 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 93.6 Cg_endo -101.35 168.18 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.253 2.635 . . . . 0.0 112.416 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.32 142.96 51.24 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.41 -43.9 2.65 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.324 2.016 . . . . 0.0 112.382 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -148.74 161.23 42.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.35 137.72 44.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -164.66 -161.21 13.22 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 57.0 t -134.38 133.76 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.729 0.299 . . . . 0.0 111.043 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.487 HG11 ' HA ' ' A' ' 61' ' ' VAL . 95.7 t -72.01 101.24 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.819 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -94.23 -39.0 10.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.389 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -151.61 126.53 9.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 111.3 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 57.4 tp -82.61 151.31 26.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.526 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LYS . . . . . 0.437 ' HE2' ' HB2' ' B' ' 70' ' ' LEU . 64.2 tttp -115.22 -36.68 4.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.435 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.4 m -118.64 139.5 45.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.859 0.361 . . . . 0.0 111.266 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -100.45 151.48 21.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.015 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.519 ' HA ' HG11 ' A' ' 54' ' ' VAL . 62.1 t -52.82 136.34 13.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.016 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.2 -13.99 61.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.205 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.98 110.45 22.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.311 . . . . 0.0 110.673 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 19.1 ptpt -55.55 152.78 8.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.269 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.432 HG22 ' H ' ' B' ' 66' ' ' LYS . 4.3 p -108.31 166.07 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.799 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.432 ' H ' HG22 ' B' ' 65' ' ' VAL . 67.8 mttm -142.87 147.99 36.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.954 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.3 m -67.03 122.96 18.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.89 -18.21 19.49 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.468 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 91.6 p -93.89 174.92 6.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.99 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.553 HD23 ' HB3' ' A' ' 45' ' ' GLU . 4.9 mp -100.66 168.85 9.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.553 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.474 HG13 ' H ' ' B' ' 72' ' ' MET . 13.7 pt -133.37 -50.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.644 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.474 ' H ' HG13 ' B' ' 71' ' ' ILE . 73.4 mtm -148.52 168.31 23.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.931 0.396 . . . . 0.0 111.154 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 27.2 mt -134.3 135.03 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.34 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 43' ' ' SER . 56.9 m-85 -116.63 158.16 24.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.796 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 1.1 tm-20 -129.51 94.8 3.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.244 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p -90.96 118.17 35.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.402 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -124.61 104.69 8.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.721 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -103.04 -13.53 28.9 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.752 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.69 138.29 33.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.06 152.27 84.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.96 128.36 13.95 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.345 2.03 . . . . 0.0 112.301 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.68 110.43 10.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.974 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.77 -83.77 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.297 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . 56.22 85.91 0.18 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -57.64 153.98 39.44 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.552 2.168 . . . . 0.0 112.334 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.71 169.67 9.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.172 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -119.39 128.17 53.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -145.02 -33.2 0.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.864 179.831 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p -164.8 -27.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -66.19 120.49 13.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -126.66 -55.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.757 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.9 m -105.12 154.45 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.189 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -101.6 -0.2 35.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.754 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.11 129.89 28.52 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.74 154.16 59.15 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.354 2.036 . . . . 0.0 112.439 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -155.38 156.16 34.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.462 HG22 HG13 ' A' ' 15' ' ' VAL . 61.2 mt -97.88 -48.29 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.046 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.462 HG13 HG22 ' A' ' 10' ' ' ILE . 29.4 m -138.26 149.75 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.264 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -115.0 105.59 13.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.3 m -88.53 174.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.163 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.7 p -134.9 -1.92 2.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 59.45 19.14 7.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.367 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.9 m -69.58 -179.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.5 ptp -85.95 -4.58 59.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.065 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.9 t 60.88 100.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -64.89 167.82 7.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.0 -33.0 34.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.192 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.27 42.13 43.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.527 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -90.44 111.88 23.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -141.51 -26.88 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.03 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.6 t -79.95 95.69 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -167.89 167.92 12.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.37 -63.7 1.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.025 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -106.76 164.41 12.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.582 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -79.77 -76.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.953 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.9 m 56.96 95.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.77 9.11 31.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.1 tt -101.49 -29.88 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.4 p -83.58 -38.05 22.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.8 t -115.2 99.15 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -85.76 -39.91 16.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 160.42 -90.91 0.11 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.555 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -77.37 149.34 35.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 111.062 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -105.05 -172.06 2.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.771 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -159.64 147.59 17.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.3 p -138.55 146.62 42.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.754 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.4 tpp -125.5 119.81 29.2 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.825 0.345 . . . . 0.0 111.345 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.578 ' HG2' HG12 ' B' ' 73' ' ' ILE . 30.5 mt-10 -78.12 146.62 35.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.592 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.19 142.25 44.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -101.83 151.64 0.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.156 2.571 . . . . 0.0 112.493 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.54 145.97 94.34 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.43 -44.34 0.8 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.507 2.138 . . . . 0.0 112.616 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -148.7 161.03 42.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.184 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 149.7 44.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' O ' HG12 ' B' ' 65' ' ' VAL . . . -175.74 173.39 46.22 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.819 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.3 t -115.98 127.24 73.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.677 0.275 . . . . 0.0 110.301 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.469 HG11 ' HA ' ' B' ' 61' ' ' VAL . 98.7 t -71.62 106.41 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.986 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -104.12 -32.67 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.702 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -157.29 124.02 5.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.558 ' HB2' HG22 ' B' ' 61' ' ' VAL . 33.1 tp -82.77 149.73 27.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.583 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -98.12 -47.18 5.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.198 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.56 139.74 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.944 0.402 . . . . 0.0 111.446 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -106.36 151.73 24.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.732 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.566 HG22 ' HB2' ' B' ' 57' ' ' LEU . 33.2 t -45.93 127.37 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.16 13.89 21.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -123.69 105.95 10.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.253 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -50.32 142.43 10.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.946 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 p -109.95 152.32 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.289 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -137.88 141.35 40.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.494 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 m -52.96 120.88 6.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.264 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.26 -13.37 21.36 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.731 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.2 p -93.81 164.6 13.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.77 0.319 . . . . 0.0 110.795 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.2 mt -86.76 165.0 16.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 72' ' ' MET . 24.6 pt -132.3 -44.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.545 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.472 ' N ' HG13 ' A' ' 71' ' ' ILE . 8.8 ptm -167.44 160.74 13.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.653 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.597 HG12 ' HG2' ' B' ' 45' ' ' GLU . 3.9 mp -131.28 135.65 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.47 ' CZ ' HG11 ' B' ' 65' ' ' VAL . 29.9 m-85 -111.39 160.94 16.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.994 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -94.99 93.13 7.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p -105.38 117.28 50.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -69.73 107.87 3.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.806 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.81 -112.87 0.55 Allowed Glycine 0 C--N 1.329 0.192 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.18 131.27 44.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.874 0.368 . . . . 0.0 111.138 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.83 148.04 37.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.36 -172.23 0.73 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.356 2.037 . . . . 0.0 112.343 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -106.81 106.42 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.23 158.52 36.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.207 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.65 151.15 37.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.42 162.35 14.93 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.619 2.213 . . . . 0.0 112.279 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 58.61 -171.45 0.11 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.232 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 4.0 mptp? 58.24 -171.77 0.1 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -111.33 -54.06 2.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.84 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.9 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mtp . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.754 0.311 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.1 m -140.7 -29.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.233 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -77.61 -72.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.033 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.464 ' H ' ' CD ' ' B' ' 4' ' ' GLU . 0.0 OUTLIER -78.2 154.56 30.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.845 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.502 HG22 ' H ' ' B' ' 7' ' ' VAL . 9.7 p -147.73 138.46 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.003 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -93.48 -20.8 19.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.781 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.502 ' H ' HG22 ' B' ' 5' ' ' VAL . 61.1 t -64.27 129.63 94.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.73 149.37 77.6 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.432 2.088 . . . . 0.0 112.307 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -100.65 118.44 36.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.544 HG22 HG23 ' B' ' 15' ' ' VAL . 60.8 mt 62.7 112.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.241 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.544 HG23 HG22 ' B' ' 10' ' ' ILE . 46.8 t 65.66 133.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.172 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -161.27 -0.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.164 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.416 HG13 HG22 ' B' ' 18' ' ' THR . 5.5 p -92.27 -44.89 14.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.244 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.428 HG23 ' N ' ' B' ' 19' ' ' GLU . 3.3 t -171.85 -49.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.321 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.428 ' N ' HG23 ' B' ' 18' ' ' THR . 40.5 tt0 -172.72 -62.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.689 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -159.77 143.6 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 27.9 ttt -139.74 111.22 7.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.4 137.11 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -167.37 -25.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 p -130.61 145.47 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.88 68.47 0.14 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.454 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -101.38 159.31 15.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 111.005 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -65.54 -51.62 58.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 52.8 t -81.16 108.86 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.141 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.15 -34.26 63.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.012 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.22 95.12 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.425 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -117.31 174.64 6.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -102.46 110.17 22.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.74 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 78.5 p -98.69 9.17 43.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.2 mt -84.56 118.24 24.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.735 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.486 HG13 HG23 ' B' ' 36' ' ' THR . 46.8 pt -89.48 0.49 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.31 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' THR . . . . . 0.486 HG23 HG13 ' B' ' 35' ' ' ILE . 67.3 p -124.29 157.39 35.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.338 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 35.4 m -110.5 164.02 6.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.06 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 60.04 99.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.057 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.0 -155.84 8.71 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -105.69 142.97 34.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -159.44 33.91 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.737 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -165.1 131.68 2.86 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.1 p -132.34 142.17 49.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.982 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 54.4 tpp -118.33 123.13 44.57 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.597 ' HG2' HG12 ' A' ' 73' ' ' ILE . 33.3 mt-10 -80.7 147.68 30.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.579 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 24.6 m -130.53 141.67 42.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.368 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 66.1 Cg_endo -101.59 153.14 0.35 Allowed 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.281 2.654 . . . . 0.0 112.5 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.55 146.34 96.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.23 -43.21 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.43 2.087 . . . . 0.0 112.532 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -149.64 165.17 33.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.33 151.17 42.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.326 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.35 -179.07 48.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.26 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 41.6 t -116.97 133.65 63.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.938 0.399 . . . . 0.0 111.37 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.477 HG11 ' HA ' ' A' ' 61' ' ' VAL . 78.2 t -74.87 106.68 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -104.44 -33.8 8.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -156.26 125.87 6.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.073 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.566 ' HB2' HG22 ' A' ' 61' ' ' VAL . 31.7 tp -84.41 149.45 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.571 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -97.93 -47.27 5.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.284 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.54 139.76 44.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.907 0.384 . . . . 0.0 111.525 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -106.77 151.86 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.714 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.558 HG22 ' HB2' ' A' ' 57' ' ' LEU . 38.8 t -46.51 126.33 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.33 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.05 11.94 23.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.302 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -122.03 110.73 16.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -55.29 143.05 29.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.47 HG11 ' CZ ' ' A' ' 74' ' ' PHE . 8.5 p -109.05 153.81 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.306 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -140.29 143.01 35.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.54 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 8.6 m -54.45 119.99 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.405 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.24 -12.27 21.78 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.656 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 90.7 p -94.91 163.36 13.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.731 0.3 . . . . 0.0 110.821 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 70.8 mt -86.4 164.89 16.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.458 HG13 ' N ' ' B' ' 72' ' ' MET . 23.9 pt -132.12 -43.52 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.318 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.458 ' N ' HG13 ' B' ' 71' ' ' ILE . 8.9 ptm -168.59 161.98 11.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.787 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.578 HG12 ' HG2' ' A' ' 45' ' ' GLU . 3.7 mp -131.33 139.35 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.73 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -115.23 157.26 23.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.637 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -92.26 91.76 7.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.2 p -102.76 118.64 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.076 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.06 127.08 31.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -155.52 -177.37 28.7 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.394 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.68 140.76 51.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.83 0.348 . . . . 0.0 111.249 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.82 141.15 86.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.98 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.55 114.85 4.06 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.332 2.022 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.04 -68.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.997 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 59.04 16.01 4.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.405 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -164.85 149.5 8.11 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.201 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -79.89 177.2 8.61 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.594 2.196 . . . . 0.0 112.456 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -159.98 -61.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.023 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt 59.22 98.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.239 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -122.51 -29.86 4.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.753 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.909 179.852 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.0 m -139.35 157.18 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.066 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -72.97 154.57 40.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.724 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 59.67 98.12 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.007 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -163.12 -10.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -63.47 -12.7 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 38.8 t -62.78 132.02 94.59 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 38.7 Cg_exo -60.7 161.17 22.12 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.411 2.074 . . . . 0.0 112.297 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -104.71 121.32 43.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.34 4.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.7 m -63.94 169.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.208 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.74 120.18 12.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.4 m -88.03 148.07 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.8 p -106.65 130.87 54.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.328 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -161.37 124.78 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.771 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG22 ' HG2' ' A' ' 21' ' ' MET . 14.0 p -167.57 154.44 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.158 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.473 ' HG2' HG22 ' A' ' 20' ' ' VAL . 89.6 mmm 61.72 16.57 7.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.42 HG12 ' HG3' ' A' ' 23' ' ' LYS . 99.9 t -133.14 117.5 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.97 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HG3' HG12 ' A' ' 22' ' ' VAL . 52.8 mtmt 59.07 94.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.3 m -126.14 -14.26 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.072 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.46 0.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.616 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.16 108.6 10.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.734 0.302 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -104.09 13.5 32.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.7 t 63.45 -82.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.279 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.9 112.92 20.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 111.328 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.8 156.97 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.821 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -150.82 107.69 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.067 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -132.54 -61.9 0.84 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.79 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.2 p -85.28 169.14 14.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.807 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.1 mt -115.96 144.74 43.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.979 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.514 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.7 mp -86.11 123.89 39.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.8 p -65.08 128.95 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.05 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.6 m -73.74 167.12 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.007 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.78 24.09 1.84 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.035 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.81 129.09 47.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.407 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -132.67 152.75 51.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 111.222 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 63.93 -78.68 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.448 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.526 ' O ' ' HA ' ' B' ' 75' ' ' GLU . . . 68.33 3.71 3.86 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.774 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.2 t -143.7 134.59 25.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.755 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.4 tpt -135.96 118.62 16.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.062 0.458 . . . . 0.0 110.923 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.568 ' HG2' HD12 ' B' ' 73' ' ' ILE . 31.6 mt-10 -80.51 149.47 30.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.895 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.429 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 34.4 m -132.28 136.57 28.3 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.004 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 69.1 Cg_endo -101.81 148.23 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.143 2.562 . . . . 0.0 112.527 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.83 139.74 86.52 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.95 -41.27 5.53 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.416 2.077 . . . . 0.0 112.556 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -150.39 154.34 37.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.108 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.423 ' HA ' HG13 ' B' ' 65' ' ' VAL . . . -65.98 157.24 31.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.391 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . 170.24 168.17 31.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 119.998 -1.096 . . . . 0.0 113.381 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.0 t -97.72 139.01 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.732 0.301 . . . . 0.0 110.981 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -71.81 114.56 10.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.897 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -82.76 -52.04 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.527 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -166.52 142.78 4.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.8 tp -74.2 146.56 43.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.128 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -116.0 -34.5 4.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.8 m -118.7 139.87 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.942 0.401 . . . . 0.0 111.509 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -91.53 150.8 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.781 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.6 t -60.84 128.84 22.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.28 1.18 47.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -106.41 117.43 34.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.816 0.341 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -51.46 167.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.438 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 p -127.44 160.47 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.925 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -142.25 149.96 40.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p -58.26 121.26 10.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.6 -9.68 30.33 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.653 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.5 t -97.91 132.68 43.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 111.037 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.1 mt -72.17 163.85 27.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.591 HG13 ' H ' ' A' ' 72' ' ' MET . 10.4 pt -126.2 -55.99 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.448 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.591 ' H ' HG13 ' A' ' 71' ' ' ILE . 67.1 mtt -149.14 146.05 27.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.753 0.311 . . . . 0.0 110.726 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.569 HD12 ' HG2' ' B' ' 45' ' ' GLU . 6.9 mm -111.72 130.75 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.647 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.548 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 73.3 m-85 -106.2 157.78 17.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.138 0.494 . . . . 0.0 111.917 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' B' ' 42' ' ' ALA . 35.7 tt0 -106.46 108.57 20.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.364 178.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' B' ' 42' ' ' ALA . 3.4 p -121.14 118.67 56.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.024 0.44 . . . . 0.0 111.463 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -100.23 121.3 41.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.65 48.86 0.12 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.646 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -121.39 153.81 37.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . . . -89.98 141.86 28.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 38.7 Cg_exo -60.98 145.42 99.14 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.446 2.097 . . . . 0.0 112.234 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.19 -51.59 0.18 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.76 149.51 25.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.96 152.11 84.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.027 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.3 174.63 10.5 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.454 2.102 . . . . 0.0 112.278 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.8 -172.43 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.8 OUTLIER -80.6 156.88 26.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.765 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -64.37 151.81 43.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.81 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.925 179.909 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.9 ttp . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.759 0.314 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.3 m -85.14 162.65 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 164.34 26.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -112.69 -49.62 2.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.675 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 27.1 m -88.16 165.23 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.203 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -88.81 155.44 19.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.086 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 30.2 m -138.15 154.29 73.93 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.15 162.0 31.52 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.402 2.068 . . . . 0.0 112.335 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -160.09 -0.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 46.9 mm -89.65 143.18 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 40.6 t -63.24 129.83 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -110.55 -43.67 3.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.007 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.57 141.77 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 77.3 p -116.7 -179.65 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -86.47 132.41 33.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.781 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 p -136.78 -31.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 24.1 mmt -88.86 141.32 28.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.9 t 64.12 114.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.553 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -127.84 145.89 50.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.831 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 56.7 t -92.23 -65.19 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.43 170.19 17.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -136.35 129.09 30.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.964 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -103.25 161.13 14.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -119.81 -70.44 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.857 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 53.76 90.06 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.323 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.11 -65.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.03 -66.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -108.46 126.33 52.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 66.5 m -146.19 -49.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.802 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.475 HD23 ' N ' ' B' ' 34' ' ' LEU . 2.5 pt? -163.69 139.68 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 40.2 pt -126.43 -3.01 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 38.5 m -114.77 125.36 53.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 27.4 m -109.15 170.58 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.73 -179.09 5.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.773 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.72 -133.03 7.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.723 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -124.41 114.01 18.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.849 0.357 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -164.46 -28.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' A' ' 76' ' ' VAL . . . -93.4 -7.77 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.522 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 41.5 t -135.74 128.64 31.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.062 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 16.9 tpt -127.17 121.45 31.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.569 ' HG2' HD12 ' A' ' 73' ' ' ILE . 34.1 mt-10 -83.72 147.22 27.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.731 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.445 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.8 m -128.58 135.77 28.1 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.312 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 64.9 Cg_endo -101.66 150.49 0.32 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.219 2.613 . . . . 0.0 112.402 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.61 139.01 92.96 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.96 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -68.72 -41.65 5.65 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.285 1.99 . . . . 0.0 112.444 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -150.26 158.53 44.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.05 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.22 153.74 39.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.48 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . 171.87 173.7 38.87 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.498 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 25.1 t -98.23 143.27 13.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.963 0.411 . . . . 0.0 111.488 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 52.7 t -74.87 114.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.012 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -83.21 -52.15 6.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -165.48 147.26 7.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 56.3 tp -78.87 145.51 34.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.049 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -114.97 -34.61 5.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 31.1 m -118.83 139.97 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.443 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -91.97 151.0 20.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 41.4 t -61.27 129.27 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.011 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.6 -3.32 42.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.544 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -102.56 123.26 45.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.707 0.289 . . . . 0.0 110.803 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -56.92 170.07 0.46 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.295 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' A' ' 51' ' ' ALA . 4.3 p -128.32 161.28 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.027 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -144.6 150.76 37.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.021 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 68.5 p -59.24 121.35 11.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.311 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.13 -9.16 31.35 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.492 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 39.1 t -98.36 131.87 44.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 67.5 mt -72.13 164.23 26.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.561 HG13 ' H ' ' B' ' 72' ' ' MET . 10.2 pt -127.01 -55.34 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.602 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.561 ' H ' HG13 ' B' ' 71' ' ' ILE . 66.3 mtt -150.25 144.6 25.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.041 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.568 HD12 ' HG2' ' A' ' 45' ' ' GLU . 4.4 mm -110.22 136.48 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.225 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.48 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 68.5 m-85 -112.66 155.67 24.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 111.453 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.526 ' HA ' ' O ' ' A' ' 42' ' ' ALA . 23.9 tt0 -104.32 100.16 9.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.333 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.98 118.92 58.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.36 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -99.31 124.44 44.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.56 128.2 0.5 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.611 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.3 148.11 33.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.07 145.94 37.36 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.16 119.54 6.08 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.428 2.086 . . . . 0.0 112.508 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . 57.33 -171.25 0.09 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.348 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.37 -48.29 6.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.32 149.49 36.78 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.49 117.78 5.29 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.466 2.111 . . . . 0.0 112.308 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . 61.85 9.2 2.81 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.681 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 21.1 pttp 35.59 84.91 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.457 0.473 . . . . 0.0 111.945 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -69.42 108.63 3.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.858 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ptt? . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.892 0.377 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.78 -34.95 58.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.275 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt 59.56 -170.3 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -102.47 4.55 38.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.7 t -71.03 -23.57 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.062 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 59.44 -177.61 0.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.07 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.74 123.13 86.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -58.37 129.0 30.61 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.321 2.014 . . . . 0.0 111.97 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -116.61 -30.54 5.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.3 mm 61.83 -85.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.179 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.9 t 57.07 96.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.954 0.406 . . . . 0.0 111.169 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -153.91 -69.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.998 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.6 t -99.54 138.76 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.408 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -97.46 153.04 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.962 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.67 172.3 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.199 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.8 t -114.82 115.47 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.5 ttt -84.4 134.69 34.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.97 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.3 m -69.39 173.57 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -119.52 150.7 39.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.025 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.3 m -96.51 162.17 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.246 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.65 -101.63 2.7 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.423 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -101.48 121.99 42.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.341 . . . . 0.0 110.831 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -85.65 -75.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.9 m -144.51 -37.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.989 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -168.63 119.47 0.76 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.12 -54.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.332 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -99.47 136.27 39.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.061 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -153.43 137.79 16.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.4 p -149.88 174.72 12.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 tp -83.51 132.34 34.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.811 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.2 tt -76.24 145.1 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.96 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.3 p -126.37 115.04 19.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.6 m -133.85 177.13 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.128 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.58 174.99 11.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.003 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.22 135.04 0.55 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.703 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -98.95 132.99 43.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.946 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -133.87 -9.93 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.742 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.53 -87.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.997 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 79.6 p -58.3 124.88 20.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.0 tpp -146.4 119.83 9.04 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -73.6 156.72 37.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.409 HG11 ' HG3' ' B' ' 49' ' ' PRO . 35.4 m -132.17 150.51 76.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 66.1 Cg_endo -101.69 165.54 0.33 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.313 2.675 . . . . 0.0 112.38 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.39 145.53 59.78 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.847 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.46 ' HG3' HG11 ' B' ' 46' ' ' VAL . 44.3 Cg_endo -68.71 -51.81 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.4 2.067 . . . . 0.0 112.567 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -145.06 151.96 39.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.07 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.54 143.3 41.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.576 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -168.53 -167.93 29.87 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.305 -0.95 . . . . 0.0 113.227 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.509 HG13 ' HG2' ' B' ' 64' ' ' LYS . 59.8 t -134.8 128.23 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.714 0.292 . . . . 0.0 110.733 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.3 t -71.74 101.99 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.067 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -123.4 -33.03 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.01 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 73' ' ' ILE . 16.1 mm-40 -117.09 92.98 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.214 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.36 142.06 54.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.802 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 70' ' ' LEU . 3.5 tmtp? -113.87 -46.09 3.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.723 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.426 HG12 ' H ' ' A' ' 60' ' ' ASN . 2.6 t -118.69 164.73 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.426 ' H ' HG12 ' A' ' 59' ' ' VAL . 16.5 m-20 -109.5 151.12 27.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.752 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.4 t -63.33 127.9 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.098 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.45 ' H ' HG11 ' B' ' 54' ' ' VAL . . . 101.43 3.81 53.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.437 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -104.7 123.43 47.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.063 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.514 ' HG2' HG13 ' B' ' 53' ' ' VAL . 96.3 mttt -51.45 151.3 3.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.18 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 p -114.3 157.56 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -140.47 133.87 29.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.663 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.6 m -52.23 134.04 33.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.43 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.62 -18.27 50.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.558 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.0 m -95.53 153.93 17.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.77 0.319 . . . . 0.0 110.79 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.467 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 76.5 mt -80.38 158.84 25.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.537 HG13 ' H ' ' A' ' 72' ' ' MET . 12.6 pt -117.68 -52.67 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.537 ' H ' HG13 ' A' ' 71' ' ' ILE . 62.9 mtt -150.25 166.42 29.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' A' ' 56' ' ' GLU . 39.1 mt -128.36 130.58 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.743 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.576 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 49.8 m-85 -113.02 151.12 31.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.986 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.52 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 34.5 tt0 -119.57 92.23 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.916 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 p -84.75 117.44 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.675 ' HG3' ' H ' ' A' ' 79' ' ' ALA . 11.1 tp10 -88.94 131.95 34.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.552 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.17 -10.42 85.35 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.726 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.675 ' H ' ' HG3' ' A' ' 77' ' ' GLU . . . -60.41 143.45 53.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . . . -73.69 137.61 77.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 24.0 Cg_exo -64.1 -64.12 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.631 2.22 . . . . 0.0 112.1 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 64.12 -81.05 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.574 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.93 -10.98 54.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.39 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 54.41 84.95 0.2 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.222 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.83 154.63 48.64 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.41 2.073 . . . . 0.0 112.359 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -145.39 -50.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.821 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -102.18 102.67 13.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -139.04 4.66 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.017 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.822 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptt? . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.862 0.363 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -145.78 131.19 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.997 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -142.47 -46.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.99 116.93 15.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.685 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 13.1 p -104.16 145.26 13.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.28 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -142.11 107.44 5.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.694 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.3 p -128.65 130.35 23.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.78 129.73 34.93 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.406 2.07 . . . . 0.0 112.098 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -157.97 -54.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.038 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 52.2 mt -98.27 132.37 43.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.17 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 t -83.71 -29.08 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.745 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.29 160.56 26.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.71 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 m -81.55 77.01 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.152 0.501 . . . . 0.0 111.24 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 80.2 p -128.27 156.72 42.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.139 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -106.6 -55.58 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 47.5 t 63.44 116.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.512 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 26.3 ttt -138.39 112.86 8.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.6 t -109.66 135.28 49.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -159.58 -25.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.727 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 41.5 t -80.95 138.79 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.33 -131.44 3.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -116.71 177.24 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.392 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -98.11 178.0 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.756 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 15.8 m -66.04 163.61 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -140.2 13.83 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.486 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.51 112.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.922 0.391 . . . . 0.0 111.205 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -56.12 -74.54 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.153 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.514 ' H ' ' CD ' ' B' ' 32' ' ' GLN . 4.4 pm0 -64.99 124.79 22.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -169.23 102.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 71.2 mt 56.92 97.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.297 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 7.9 tp -140.16 -24.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 88.1 m -77.78 117.53 19.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 27.5 m -94.65 153.07 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -96.26 151.43 19.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.7 -102.02 2.04 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.433 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -147.0 116.41 7.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.999 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -162.96 85.22 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.801 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -171.24 -79.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.052 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 84.7 p -62.66 124.0 19.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.25 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 52.2 tpp -140.85 121.82 14.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.054 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -75.53 156.87 34.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.754 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.46 HG11 ' HG3' ' A' ' 49' ' ' PRO . 35.2 m -132.28 150.82 77.04 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.416 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.467 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 69.5 Cg_endo -101.74 167.97 0.31 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.323 2.682 . . . . 0.0 112.428 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.13 144.75 51.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.409 ' HG3' HG11 ' A' ' 46' ' ' VAL . 42.2 Cg_endo -68.68 -49.88 0.72 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.32 2.013 . . . . 0.0 112.705 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -147.27 153.23 39.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.86 142.23 57.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.595 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . -170.18 -164.39 25.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.676 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.514 HG13 ' HG2' ' A' ' 64' ' ' LYS . 60.1 t -133.71 134.03 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.34 . . . . 0.0 111.1 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.45 HG11 ' H ' ' A' ' 62' ' ' GLY . 69.6 t -75.41 101.79 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -123.13 -34.16 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.975 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.432 ' HB2' ' HB ' ' B' ' 73' ' ' ILE . 14.7 mm-40 -116.11 95.67 5.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.229 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.0 tt -71.35 143.19 50.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' LYS . . . . . 0.429 ' NZ ' ' HB2' ' B' ' 70' ' ' LEU . 3.6 tmtp? -115.58 -46.25 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.777 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -118.44 162.67 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -107.94 151.23 26.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.25 126.99 22.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.24 1.02 47.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.578 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.09 128.06 48.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.984 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.509 ' HG2' HG13 ' A' ' 53' ' ' VAL . 96.2 mttt -56.21 150.61 13.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.1 p -112.02 160.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -143.87 135.37 25.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.885 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.3 m -53.56 132.88 41.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.359 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.91 -19.83 42.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 51.1 m -94.14 154.42 17.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.808 0.337 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 68.8 mt -81.56 158.37 24.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.756 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.52 HG13 ' H ' ' B' ' 72' ' ' MET . 12.9 pt -117.23 -52.14 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.215 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.52 ' H ' HG13 ' B' ' 71' ' ' ILE . 63.9 mtt -151.02 166.66 30.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.432 ' HB ' ' HB2' ' B' ' 56' ' ' GLU . 36.9 mt -127.43 135.72 62.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.503 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.595 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 41.6 m-85 -119.81 145.34 46.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.864 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.529 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 27.5 tt0 -114.42 93.21 4.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.351 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.2 p -83.96 117.67 29.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.308 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.523 ' HG3' ' H ' ' B' ' 79' ' ' ALA . 10.5 tp10 -89.7 143.77 26.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.59 -30.28 62.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.619 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.523 ' H ' ' HG3' ' B' ' 77' ' ' GLU . . . -65.84 154.97 37.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.771 0.32 . . . . 0.0 111.154 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.37 155.24 89.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.46 171.84 0.56 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.493 2.128 . . . . 0.0 112.367 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . 59.8 97.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.303 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.89 -24.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.167 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -116.68 91.67 35.37 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.62 -12.24 34.14 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.547 2.164 . . . . 0.0 112.283 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . 58.56 20.2 7.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.319 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 63.44 117.09 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 65.38 145.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.097 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.875 -179.876 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.2 mtp . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.821 0.343 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.59 137.11 54.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.76 -177.47 6.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -80.74 -30.59 36.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.2 t -131.32 111.3 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -150.12 162.73 39.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.029 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.26 132.56 87.91 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.7 155.05 72.28 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.242 1.961 . . . . 0.0 112.307 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.99 160.13 24.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.0 mt 65.62 127.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.418 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.0 m -93.25 142.17 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.069 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -118.2 -25.52 6.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.5 m -137.19 154.43 30.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.196 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.3 p -131.47 -31.49 1.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 63.05 120.37 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.226 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.4 t -102.44 128.59 55.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.214 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 53.0 ttm -139.8 119.48 13.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.26 135.51 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -109.06 150.01 28.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.703 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.5 m 41.1 -159.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 O-C-N 123.606 0.566 . . . . 0.0 111.854 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.26 -52.04 0.83 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.226 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.81 92.27 8.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.758 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -107.57 2.58 24.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.756 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.97 -43.26 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.24 108.46 19.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.023 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.96 7.75 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.984 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 43.09 -161.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.729 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -146.16 163.97 33.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.7 t -131.76 95.84 3.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -143.48 109.01 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.764 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.9 mm -111.77 102.72 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.2 t -156.9 -4.82 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 p -60.4 148.71 8.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -147.13 -52.84 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.37 115.44 4.18 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.553 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -114.02 136.28 53.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.626 0.251 . . . . 0.0 110.766 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' NZ ' ' HB2' ' A' ' 41' ' ' LYS . 4.1 ttmp? 57.73 89.67 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -127.08 -7.23 5.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.211 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.8 t -58.81 146.08 38.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.627 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 45.7 tpp -142.58 123.16 14.09 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.027 0.441 . . . . 0.0 111.336 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -78.12 136.25 37.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.847 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.435 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 35.3 m -115.06 141.34 26.84 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.071 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 73.6 Cg_endo -101.48 172.22 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.299 2.666 . . . . 0.0 112.606 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.74 141.22 38.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.59 -44.98 1.86 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.536 2.157 . . . . 0.0 112.803 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -142.09 159.59 41.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.021 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.13 152.35 44.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.703 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.65 159.71 12.76 Favored Glycine 0 C--O 1.228 -0.277 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.803 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.614 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 17.2 m -97.17 139.56 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 120.97 0.414 . . . . 0.0 110.981 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.4 t -73.74 133.09 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -128.5 -48.67 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -135.73 108.13 7.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.149 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -75.03 177.75 6.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.728 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HG2' ' HB2' ' A' ' 70' ' ' LEU . 58.3 tptt -129.78 -38.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.777 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.21 143.33 32.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -96.9 150.92 20.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.699 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.427 HG21 HD13 ' B' ' 57' ' ' LEU . 41.0 t -56.99 130.19 19.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.8 -4.07 61.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.377 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -104.1 115.73 30.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.798 0.333 . . . . 0.0 111.184 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.663 ' HA ' ' HA ' ' B' ' 53' ' ' VAL . 22.5 ptmt -47.82 169.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.147 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.41 HG22 ' H ' ' A' ' 66' ' ' LYS . 5.2 p -135.12 164.96 32.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.645 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' H ' HG22 ' A' ' 65' ' ' VAL . 68.3 mttm -141.4 152.38 44.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 111.021 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.2 p -59.92 127.94 34.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.205 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.86 -3.77 62.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.598 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 t -101.85 137.35 40.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.461 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 85.0 mt -66.35 161.48 22.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.033 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.8 pt -128.27 -38.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.292 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.401 ' O ' HG22 ' B' ' 46' ' ' VAL . 56.0 ttm -164.89 158.37 17.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.878 0.371 . . . . 0.0 111.07 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.3 mt -129.15 129.83 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.437 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -101.34 126.5 48.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.907 0.384 . . . . 0.0 111.62 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -93.17 92.49 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.064 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.5 p -101.33 154.36 4.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.978 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -126.54 107.27 10.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.988 0.423 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -154.59 -38.19 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.343 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.57 127.56 37.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.747 0.308 . . . . 0.0 111.157 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.77 156.49 89.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.03 -9.94 21.18 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.436 2.091 . . . . 0.0 112.22 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.65 24.72 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.957 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.59 -88.27 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.416 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -104.75 145.05 29.97 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.085 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -79.22 153.29 24.46 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.423 2.082 . . . . 0.0 112.195 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.69 136.83 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.163 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -131.16 147.26 52.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -117.88 179.78 3.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.881 -179.836 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 75.0 mtm . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.889 0.376 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.609 HG13 ' HG3' ' B' ' 3' ' ' LYS . 7.2 p -89.51 -32.67 5.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.973 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.609 ' HG3' HG13 ' B' ' 2' ' ' VAL . 8.8 mtpm? -107.13 153.84 22.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.743 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -110.34 170.64 7.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.076 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.4 t -79.88 115.13 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 60.05 100.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.156 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -103.3 132.62 20.93 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.121 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.03 125.72 11.77 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.418 2.079 . . . . 0.0 112.25 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 58.38 -177.28 0.08 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 16.7 tt -149.48 144.38 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.13 138.17 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.013 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -130.4 124.56 32.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -125.65 170.55 15.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.33 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 49.6 p -72.89 152.05 41.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.101 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -110.32 111.04 22.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.018 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 m -96.27 -1.62 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -80.03 106.07 11.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.624 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 m -142.69 120.92 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.404 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt 57.55 -87.72 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.49 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -158.04 142.99 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.072 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.08 -19.97 3.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.603 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -137.8 113.79 9.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.674 0.273 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 62.36 106.21 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.279 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 37.5 t -81.03 -49.24 18.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.53 -33.51 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.748 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.1 18.23 6.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.372 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -92.72 173.83 7.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -144.56 -171.99 3.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 50.1 m -65.29 161.56 19.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.413 ' N ' HD12 ' B' ' 34' ' ' LEU . 6.5 mp -106.92 22.71 15.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.983 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 62.9 mt -61.15 113.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.205 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 76.4 m -91.91 130.94 37.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -121.08 -31.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -108.95 121.17 44.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.792 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.32 17.6 1.24 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.91 145.82 55.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.412 ' NZ ' ' HB2' ' B' ' 41' ' ' LYS . 0.2 OUTLIER -114.22 -2.13 13.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.499 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.6 -15.38 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.257 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 48.0 t -59.07 141.64 53.52 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.404 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 45.4 tpp -138.52 127.15 23.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.026 0.441 . . . . 0.0 111.326 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.63 136.31 35.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.453 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 34.7 m -113.57 140.67 24.83 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.18 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 68.5 Cg_endo -101.34 174.76 0.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.181 2.587 . . . . 0.0 112.438 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.64 140.09 33.51 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.16 -45.69 1.8 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.482 2.121 . . . . 0.0 112.58 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -141.84 162.42 35.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.976 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.92 149.9 39.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.969 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.8 161.45 17.44 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.149 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.663 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 7.6 m -97.32 143.02 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.007 0.432 . . . . 0.0 111.284 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.4 t -74.72 135.49 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.07 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -131.77 -49.12 0.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.101 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -135.64 109.18 7.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.427 HD13 HG21 ' A' ' 61' ' ' VAL . 2.3 pt? -76.46 178.71 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.711 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' LYS . . . . . 0.404 ' HG2' ' HB2' ' B' ' 70' ' ' LEU . 59.0 tptt -130.39 -38.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.706 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.9 142.94 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -96.6 151.04 19.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.795 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 42.5 t -56.94 130.37 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.68 -10.74 60.95 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -97.43 124.76 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.794 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.614 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 22.2 ptmt -55.93 174.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.73 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.1 p -137.64 165.05 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.334 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -144.26 152.67 41.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 0.0 111.015 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 75.1 p -59.79 128.98 39.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.317 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.21 -6.54 66.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.632 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 43.5 t -98.79 137.94 36.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 111.078 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.448 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 79.6 mt -68.24 161.09 27.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 29.4 pt -128.0 -36.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.502 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.422 ' O ' HG22 ' A' ' 46' ' ' VAL . 54.7 ttm -167.38 155.74 9.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.922 0.391 . . . . 0.0 111.217 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 38.6 mt -125.77 136.68 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.132 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -108.79 124.09 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 111.439 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -90.39 92.75 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.225 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 p -101.13 153.65 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.104 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -130.63 124.52 31.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 144.08 -104.33 0.33 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.581 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.04 148.4 26.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.729 0.299 . . . . 0.0 111.159 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' B' ' 81' ' ' PRO . . . -96.85 150.51 36.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 80' ' ' ALA . 25.1 Cg_exo -63.11 -60.29 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.591 2.194 . . . . 0.0 112.269 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.87 -177.41 5.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.078 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 58.29 17.3 4.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.336 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.56 ' HB3' ' HD3' ' B' ' 85' ' ' PRO . . . -63.52 -48.84 80.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.752 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' B' ' 84' ' ' ALA . 41.3 Cg_exo -57.61 -63.83 0.14 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.162 1.908 . . . . 0.0 112.189 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -150.31 169.41 21.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' B' ' 87' ' ' LYS . 0.5 OUTLIER -68.22 -69.55 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.776 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -156.47 -34.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.913 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.343 -0.836 . . . . 0.0 111.007 -179.901 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mtt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.861 0.362 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.7 p -167.46 -27.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -85.84 112.49 21.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.766 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -118.48 98.07 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.749 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.9 t -126.99 -41.26 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -74.09 111.69 9.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.723 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.07 148.69 60.96 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.291 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.16 162.3 20.27 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.531 2.154 . . . . 0.0 112.532 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -138.21 -34.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.577 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.1 mm -121.0 134.76 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.17 132.11 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -151.67 -58.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.4 p -109.89 133.12 56.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.3 p -139.01 -51.93 0.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 58.64 18.82 6.17 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.815 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.4 t 59.42 100.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.235 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 53.4 ttm -129.59 -39.27 1.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.2 m -92.71 132.59 36.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.226 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -88.32 133.33 34.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.755 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.32 -32.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.014 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.8 -171.33 34.47 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.345 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -75.56 151.91 37.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.695 0.283 . . . . 0.0 110.81 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 13.2 mptt -94.15 158.21 15.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.1 t 65.29 137.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.424 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -130.1 -54.75 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 58.19 97.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.221 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -89.2 -52.5 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -132.11 170.54 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.009 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t 61.49 104.48 0.02 OUTLIER 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.2 mm? -87.75 153.37 21.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.6 mm -117.21 -53.02 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.9 m -64.3 139.46 58.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 p -107.92 -22.5 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.181 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 60.39 -176.73 0.11 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -111.78 -69.84 0.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.316 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -66.16 145.75 55.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -139.54 3.06 2.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.617 ' HB1' HG13 ' B' ' 76' ' ' VAL . . . -100.37 -34.3 10.02 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.122 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.2 t -61.52 146.23 49.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.566 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 17.8 ttt -144.53 125.52 14.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.884 0.373 . . . . 0.0 111.422 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.512 ' HG2' HG12 ' B' ' 73' ' ' ILE . 25.8 mt-10 -76.46 99.33 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.451 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 31.8 m -72.07 130.9 85.91 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.302 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 69.3 Cg_endo -101.63 167.84 0.32 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.187 2.592 . . . . 0.0 112.467 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.93 140.08 77.15 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.27 -45.82 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.382 2.055 . . . . 0.0 112.646 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -143.8 156.53 44.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.979 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.61 155.84 38.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.795 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.77 -160.56 26.39 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.302 -0.952 . . . . 0.0 113.19 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.7 t -129.85 124.79 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.768 0.318 . . . . 0.0 110.59 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.51 100.71 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.152 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -79.58 -53.21 7.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.17 144.02 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.101 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -105.94 172.12 6.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.766 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -134.59 6.01 3.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.327 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.68 140.37 42.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.939 0.399 . . . . 0.0 111.26 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -106.38 148.38 28.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.5 t -64.87 120.74 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.61 -14.04 17.78 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -92.67 117.92 30.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 111.029 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HB3' ' NZ ' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -53.79 158.6 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.232 179.745 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 66' ' ' LYS . 8.9 p -114.95 161.87 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.136 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' N ' HG22 ' A' ' 65' ' ' VAL . 37.3 mtmm -140.22 161.11 38.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.672 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.5 p -73.09 118.6 16.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.36 -2.61 28.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.593 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.2 p -101.63 131.57 47.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.348 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.453 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 74.3 mt -68.21 170.41 8.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.75 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.492 HG13 ' H ' ' A' ' 72' ' ' MET . 14.6 pt -136.11 -51.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.305 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.492 ' H ' HG13 ' A' ' 71' ' ' ILE . 72.3 mtm -149.3 164.76 33.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.779 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.485 HG12 ' HG2' ' B' ' 45' ' ' GLU . 3.4 mp -134.98 129.81 51.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.577 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -108.92 124.84 51.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 111.571 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -91.03 92.57 8.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.012 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.589 HG13 ' HB1' ' B' ' 42' ' ' ALA . 7.4 p -93.84 147.22 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.931 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -110.98 96.82 6.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.59 -68.02 1.19 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.358 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.46 131.44 35.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . . . -61.14 134.37 93.04 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 42.2 Cg_exo -57.1 155.24 29.64 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.418 2.078 . . . . 0.0 112.292 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.36 153.41 33.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 60.24 100.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.395 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.549 ' HB3' ' HD3' ' A' ' 85' ' ' PRO . . . -64.1 -48.77 76.67 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.639 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 84' ' ' ALA . 57.4 Cg_exo -51.94 -29.49 35.68 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.2 1.933 . . . . 0.0 112.488 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.56 133.51 52.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -130.4 -41.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -90.16 -28.52 18.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.936 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.2 tmm? . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m -57.42 156.17 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -99.38 110.99 23.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.254 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 62.68 113.6 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.241 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -155.87 130.58 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.078 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -82.59 171.93 13.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.766 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 68.8 t -127.12 127.47 24.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.177 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.7 138.59 86.58 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.347 2.031 . . . . 0.0 112.204 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -148.81 -27.92 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 43.2 pt -72.75 166.75 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.4 m -79.33 152.1 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.214 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.16 -64.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 59.2 t -137.25 132.18 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.6 p -71.19 176.2 4.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.213 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -78.79 123.18 26.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.996 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -152.81 142.37 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -111.29 128.01 55.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 p -164.52 -28.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.262 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -60.46 -25.37 65.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.8 p -77.76 -29.37 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.56 74.92 0.29 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.585 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.83 116.58 7.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.715 0.293 . . . . 0.0 110.816 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -95.74 125.01 40.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.975 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 14.5 p -168.25 -30.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 61.33 174.42 0.11 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.317 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -165.47 4.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -75.82 144.84 41.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -99.48 151.79 20.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 44.6 t -90.27 1.23 56.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.774 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.8 mt -128.88 166.97 18.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 67.5 mt 59.18 97.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.17 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 74.9 p -117.07 4.31 12.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.319 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 33.6 m -75.44 175.03 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.299 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -95.98 -162.47 0.95 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.0 -46.03 70.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.649 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -151.7 112.15 4.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.721 0.296 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -176.95 91.64 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.687 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.589 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -126.57 -40.42 1.93 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.378 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 43.7 t -60.27 142.7 54.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.653 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 18.1 ttt -140.2 130.38 25.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.891 0.377 . . . . 0.0 111.169 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.485 ' HG2' HG12 ' A' ' 73' ' ' ILE . 29.3 mt-10 -80.78 102.35 9.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.265 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.463 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 35.9 m -74.25 130.56 82.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.533 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 76.3 Cg_endo -101.78 168.66 0.31 Allowed 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.284 2.656 . . . . 0.0 112.433 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.92 139.97 73.73 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.33 -44.44 1.13 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.359 2.039 . . . . 0.0 112.629 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -145.44 157.34 44.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 111.104 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.24 153.34 42.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.066 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.0 -156.38 18.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.628 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.6 t -130.1 128.51 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 111.086 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.8 t -73.71 101.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.058 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -80.5 -53.27 6.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.6 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.79 145.81 9.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.027 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -108.01 170.49 7.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.851 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -133.02 6.27 3.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.309 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.02 139.87 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 111.465 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -106.02 149.19 26.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.618 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 45.2 t -66.1 121.44 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.72 -14.45 17.32 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -92.31 120.57 32.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.766 0.317 . . . . 0.0 110.794 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.45 ' NZ ' ' HB3' ' B' ' 64' ' ' LYS . 0.3 OUTLIER -56.35 158.19 4.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.408 HG22 ' N ' ' B' ' 66' ' ' LYS . 5.6 p -113.26 164.08 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.408 ' N ' HG22 ' B' ' 65' ' ' VAL . 37.2 mtmm -143.38 162.02 36.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.853 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 72.0 p -73.47 117.9 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.79 -0.27 28.86 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.668 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 88.2 p -104.22 130.96 51.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.816 0.341 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 73.6 mt -67.92 170.43 8.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.798 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.489 HG13 ' H ' ' B' ' 72' ' ' MET . 14.7 pt -136.4 -51.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.489 ' H ' HG13 ' B' ' 71' ' ' ILE . 73.5 mtm -149.44 165.6 31.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.512 HG12 ' HG2' ' A' ' 45' ' ' GLU . 3.1 mp -135.23 135.69 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.206 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -114.93 122.72 47.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.26 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -89.04 92.58 9.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.874 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.617 HG13 ' HB1' ' A' ' 42' ' ' ALA . 3.7 p -92.59 149.8 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -124.13 -43.56 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.637 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 58.8 61.1 7.76 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.575 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.54 138.76 32.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.776 0.322 . . . . 0.0 111.243 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.33 145.33 29.39 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.009 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.43 144.44 83.61 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.525 2.15 . . . . 0.0 112.314 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.83 -56.9 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.57 131.16 6.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -131.75 135.17 26.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -80.15 165.69 21.26 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.421 2.08 . . . . 0.0 112.451 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . 61.99 108.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.619 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -139.73 134.93 32.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.708 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -73.32 166.41 23.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.962 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.956 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.2 t -91.85 -44.63 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.976 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -74.54 135.48 42.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -111.75 123.07 49.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.404 HG23 ' OD1' ' A' ' 6' ' ' ASN . 31.6 m -66.04 -15.44 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.044 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.404 ' OD1' HG23 ' A' ' 5' ' ' VAL . 16.7 m120 -112.52 160.88 17.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.522 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -84.44 150.05 56.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.12 158.97 54.77 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.471 2.114 . . . . 0.0 112.162 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -112.82 -76.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.3 mt 64.87 132.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.255 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.81 142.4 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.059 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -73.37 114.25 11.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -155.68 115.98 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.974 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.2 p -144.68 130.4 19.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.055 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.65 149.72 49.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.75 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.7 m -56.07 147.59 4.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.318 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.6 mmt 60.81 -176.85 0.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.067 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -99.39 164.71 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -64.86 136.97 57.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.007 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.2 t 58.85 98.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.293 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.75 74.98 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -73.41 148.34 43.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.36 . . . . 0.0 110.937 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -116.39 -9.74 11.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.19 131.21 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.0 -45.15 20.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.079 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.93 17.86 6.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.311 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -108.0 30.84 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 61.47 106.83 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.2 t -126.65 146.97 49.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.9 mt -103.9 113.87 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.6 pt -112.27 -2.89 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -71.46 159.59 34.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.2 m -87.0 -179.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -136.91 142.06 42.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.407 ' HA3' ' HA3' ' B' ' 78' ' ' GLY . . . -84.47 70.43 3.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.581 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.1 126.86 30.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.647 0.261 . . . . 0.0 110.736 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HB3' ' NZ ' ' A' ' 41' ' ' LYS . 7.9 mtpm? 57.91 93.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.756 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -122.0 -21.62 5.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.457 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.549 ' HB2' ' HA ' ' B' ' 75' ' ' GLU . 47.1 t -57.52 144.81 35.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.595 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 56.9 ttp -152.82 129.38 10.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.192 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -69.11 148.63 49.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.649 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.429 HG11 ' HG3' ' B' ' 49' ' ' PRO . 33.0 m -124.73 144.53 46.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -101.78 146.75 0.27 Allowed 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 123.228 2.619 . . . . 0.0 112.37 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.77 145.27 78.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.012 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.44 ' HG3' HG11 ' B' ' 46' ' ' VAL . 43.4 Cg_endo -68.27 -50.54 0.72 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.457 2.104 . . . . 0.0 112.479 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -146.6 149.62 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.82 145.3 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.435 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -173.23 -169.95 36.27 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.855 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.7 t -129.38 130.93 67.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.76 0.314 . . . . 0.0 110.483 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.6 t -71.52 109.68 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.042 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -112.81 -47.98 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.766 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -124.6 106.68 10.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.03 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.7 tp -89.94 124.01 34.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.716 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -104.1 -3.02 25.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.455 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.0 m -118.98 141.52 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 111.271 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -124.71 151.64 44.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.747 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.9 t -54.05 119.88 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.26 13.25 57.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -104.22 108.99 20.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -48.92 150.99 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.342 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.94 156.26 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.802 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -138.69 148.94 44.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.6 m -62.1 129.78 42.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.27 -16.67 58.89 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.0 t -84.21 157.27 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 70' ' ' LEU . 7.8 mp -79.48 155.69 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.767 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 72' ' ' MET . 19.0 pt -128.87 -48.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.617 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.472 ' N ' HG13 ' A' ' 71' ' ' ILE . 9.8 ptm -168.1 143.31 3.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.816 0.341 . . . . 0.0 111.141 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.1 mt -110.15 138.88 35.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.435 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 58.9 m-85 -111.12 130.23 55.68 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' HB2' ' B' ' 43' ' ' SER . 40.0 tt0 -93.67 92.28 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.429 HG12 ' HA2' ' A' ' 52' ' ' GLY . 4.3 m -98.97 158.29 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.595 -178.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -113.68 108.54 17.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -89.79 -71.65 1.25 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.555 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.11 141.21 28.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.319 . . . . 0.0 111.046 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.08 146.04 92.51 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.81 -52.86 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.583 2.189 . . . . 0.0 112.407 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -167.56 104.59 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.23 104.04 12.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.486 ' HB3' ' HD3' ' A' ' 85' ' ' PRO . . . -72.6 -51.63 6.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.503 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.486 ' HD3' ' HB3' ' A' ' 84' ' ' ALA . 90.0 Cg_endo -77.54 -11.51 17.12 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.017 1.811 . . . . 0.0 112.253 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 59.71 -176.05 0.1 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.236 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -107.7 155.9 19.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 63.43 111.28 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.066 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.999 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.533 ' HG3' HG13 ' B' ' 2' ' ' VAL . 26.1 ptt? . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.849 0.357 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.533 HG13 ' HG3' ' B' ' 1' ' ' MET . 29.4 m -117.88 148.37 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.09 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -96.02 -27.95 14.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.767 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.08 100.99 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.661 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.8 t -80.65 127.52 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.048 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -126.24 178.52 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 29.6 m -91.42 155.14 44.41 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.137 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.39 128.42 20.27 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.454 2.103 . . . . 0.0 112.177 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -68.71 115.22 7.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.044 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 tp -141.76 -25.47 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.759 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.0 p -129.92 140.79 48.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -70.81 112.88 7.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -116.98 -30.88 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -103.81 -16.53 15.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.423 ' HG3' ' H ' ' B' ' 21' ' ' MET . 11.1 tp10 -89.38 155.55 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 31.4 m -60.93 -22.25 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.291 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' MET . . . . . 0.423 ' H ' ' HG3' ' B' ' 19' ' ' GLU . 26.8 ttt 61.54 102.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.083 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 34.3 t -68.18 149.66 11.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -59.04 -77.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 43.3 t -129.52 -75.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.344 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.73 125.87 2.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -94.99 157.83 15.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.856 0.36 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -94.43 126.05 39.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.19 12.07 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.49 155.75 28.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.239 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.75 169.12 11.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.995 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -97.45 -41.18 8.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -128.26 177.9 6.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.997 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -93.68 177.19 6.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.733 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 49.6 tp -113.45 -41.7 3.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.231 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 50.7 mm 64.58 -79.19 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.129 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 94.5 m -62.4 125.29 23.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.196 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.9 t -119.51 -45.98 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 62.55 172.24 0.14 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.027 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.81 158.72 19.38 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.532 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -97.64 135.76 38.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.701 0.286 . . . . 0.0 110.795 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.471 ' C ' ' H ' ' B' ' 43' ' ' SER . 36.7 mtmm -95.45 -4.46 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.709 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 76' ' ' VAL . . . 69.93 -17.52 0.25 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.835 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.51 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 48.3 t -62.15 141.75 58.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.524 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 60.1 ttp -148.02 130.35 15.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.34 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -70.31 150.2 46.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.534 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.44 HG11 ' HG3' ' A' ' 49' ' ' PRO . 32.7 m -125.79 145.01 50.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.262 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 76.9 Cg_endo -101.62 150.46 0.32 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.286 2.657 . . . . 0.0 112.532 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.23 144.49 94.68 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.821 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.429 ' HG3' HG11 ' A' ' 46' ' ' VAL . 40.6 Cg_endo -67.46 -49.33 1.26 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.49 2.127 . . . . 0.0 112.634 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -147.99 151.31 35.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.063 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.98 144.64 44.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.1 -163.59 28.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.61 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 45.1 t -130.93 134.94 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 111.109 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.3 t -74.16 109.66 7.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -112.8 -50.24 2.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.972 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -122.43 108.53 13.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 32.9 tp -91.08 124.32 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.662 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -104.13 -3.13 24.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.415 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.87 141.83 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 111.362 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -125.03 151.49 45.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.573 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.42 119.59 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.085 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.9 10.67 58.56 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.581 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -101.47 112.49 25.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.709 0.29 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -52.49 150.1 5.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.262 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.18 158.5 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.81 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -142.49 150.28 40.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 111.09 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.8 m -63.46 129.34 39.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.16 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.51 -17.59 57.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.532 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 47.3 t -82.92 157.97 22.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.408 ' N ' HD12 ' B' ' 70' ' ' LEU . 8.0 mp -81.63 153.64 26.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.806 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.482 HG13 ' N ' ' B' ' 72' ' ' MET . 20.9 pt -126.76 -49.0 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.782 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.482 ' N ' HG13 ' B' ' 71' ' ' ILE . 10.1 ptm -168.14 142.37 3.41 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.79 0.328 . . . . 0.0 111.329 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 38.1 mt -107.1 145.85 14.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.45 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -118.84 126.79 52.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.736 0.303 . . . . 0.0 111.686 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 43' ' ' SER . 40.0 tt0 -90.83 92.74 8.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.693 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 m -99.03 158.49 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.4 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -115.3 126.66 54.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' GLY . . . . . 0.407 ' HA3' ' HA3' ' A' ' 39' ' ' GLY . . . -65.27 -49.7 60.12 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.533 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -120.61 117.45 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 111.051 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' B' ' 81' ' ' PRO . . . -81.97 126.81 74.13 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.04 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' B' ' 80' ' ' ALA . 26.1 Cg_exo -62.7 -13.2 32.55 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.426 2.084 . . . . 0.0 112.177 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.34 -68.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.058 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.05 149.95 44.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.567 ' HB3' ' HD3' ' B' ' 85' ' ' PRO . . . -87.53 -49.22 0.45 Allowed Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.626 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' B' ' 84' ' ' ALA . 42.8 Cg_exo -57.38 119.71 7.14 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.059 1.839 . . . . 0.0 112.382 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -135.68 125.47 25.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -135.29 -71.66 0.47 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -140.19 -54.89 0.53 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.019 -179.905 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.775 0.322 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.3 m -125.92 145.2 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -78.92 137.54 37.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -81.59 133.92 35.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.1 t -86.13 101.03 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.7 m120 57.43 93.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -97.39 130.72 28.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.34 139.8 91.53 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.37 2.047 . . . . 0.0 112.291 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -95.16 -66.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.633 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 pt -108.79 142.89 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.909 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.2 t 61.04 101.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.67 -61.62 2.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 p -113.12 142.47 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.058 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.6 p -94.54 148.53 22.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.65 175.12 5.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.057 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.4 p -165.62 -33.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 86.6 mtp -76.85 106.96 8.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -100.05 -174.51 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.293 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -62.31 134.79 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.012 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 p -125.78 144.71 34.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.29 153.82 24.17 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.54 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -84.41 134.37 34.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.73 0.3 . . . . 0.0 110.595 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 4.6 ttmp? -56.48 -42.56 78.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.331 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.7 t -69.53 146.6 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 62.31 12.46 5.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.474 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.52 -47.48 5.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -156.29 109.01 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.012 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -148.09 120.35 8.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.794 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.4 t -94.3 148.98 21.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.073 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -85.09 100.07 11.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.723 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.5 mt -130.66 105.62 11.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.182 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.5 m -107.09 127.17 53.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.85 148.61 11.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.412 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.47 160.72 41.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.701 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.49 -16.39 56.58 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.403 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -117.27 143.1 46.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.635 0.255 . . . . 0.0 110.713 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm 58.85 94.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -95.31 -12.62 25.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.431 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.1 t -58.51 146.6 34.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.453 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.5 tpt -151.7 121.13 6.85 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.876 0.37 . . . . 0.0 111.321 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -65.23 147.57 53.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.755 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.8 m -121.51 137.51 27.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 64.2 Cg_endo -101.66 170.26 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.162 2.574 . . . . 0.0 112.493 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.11 143.11 69.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.68 -42.37 2.49 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.385 2.057 . . . . 0.0 112.457 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -146.83 152.05 38.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.99 146.4 47.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.407 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.46 -168.51 33.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.231 -0.985 . . . . 0.0 112.979 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.64 125.15 70.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.638 0.256 . . . . 0.0 110.823 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.7 t -71.57 108.66 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.956 0.408 . . . . 0.0 111.089 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -84.2 -67.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.796 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -149.74 127.54 11.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.793 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -58.98 152.49 19.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.816 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -112.73 -21.45 11.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.782 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.3 m -121.44 155.99 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -107.04 151.05 25.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.648 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.94 124.07 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.82 15.4 20.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.32 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -116.56 115.42 25.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.837 0.351 . . . . 0.0 111.085 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -49.38 142.76 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.26 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -110.85 157.58 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.04 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -142.49 157.21 44.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.0 p -61.95 121.25 12.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.71 -7.13 33.61 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.663 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.3 p -91.55 141.69 28.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.849 0.357 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.1 mt -83.75 146.64 28.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.758 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.512 HG13 ' H ' ' A' ' 72' ' ' MET . 9.4 pt -112.3 -52.59 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.463 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.512 ' H ' HG13 ' A' ' 71' ' ' ILE . 66.6 mtt -148.62 169.53 20.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.96 0.409 . . . . 0.0 111.248 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.415 HG12 ' HG2' ' B' ' 45' ' ' GLU . 35.4 mt -132.64 129.78 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.605 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -107.79 133.34 52.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 111.785 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -101.71 92.66 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.865 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.2 p -93.18 151.29 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.182 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -99.3 111.35 23.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.38 124.14 3.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.677 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.79 150.96 20.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.17 140.32 65.74 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.13 123.7 6.85 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.505 2.136 . . . . 0.0 112.373 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 59.42 177.31 0.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.338 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 58.94 16.91 4.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.453 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.492 ' N ' ' HD2' ' A' ' 85' ' ' PRO . . . -78.57 -51.23 1.5 Allowed Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.742 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 84' ' ' ALA . 56.1 Cg_endo -70.34 133.32 24.24 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.994 1.796 . . . . 0.0 112.446 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.69 -71.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -163.29 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -60.99 -63.97 1.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.962 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ptp . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.84 0.353 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.577 HG13 ' HG3' ' B' ' 3' ' ' LYS . 12.1 p -84.71 -21.52 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.577 ' HG3' HG13 ' B' ' 2' ' ' VAL . 61.1 mttp -137.99 147.71 44.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.62 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.5 -176.38 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.094 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 m -130.1 174.69 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.987 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -102.92 -63.23 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 30.3 m -87.59 151.73 50.88 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.239 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.55 156.53 57.8 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.498 2.132 . . . . 0.0 112.289 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -165.24 -20.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.471 HD12 ' N ' ' B' ' 10' ' ' ILE . 3.8 mp 61.83 106.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 24.8 m -122.72 -177.84 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.251 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -111.79 158.79 18.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.768 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 44.1 t -101.44 126.6 55.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 7.0 t -145.37 140.26 27.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.416 ' CD ' ' H ' ' B' ' 19' ' ' GLU . 0.0 OUTLIER -69.97 166.36 19.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.791 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 t -76.49 -44.39 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 57.4 ttp 60.79 105.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.169 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -107.7 103.36 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.056 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -120.67 9.02 10.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.686 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.13 123.91 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.12 50.26 0.78 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.53 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -80.38 -176.66 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.745 0.307 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' B' ' 27' ' ' LYS . 10.8 mptt -84.83 -175.25 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.683 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.611 HG23 ' H ' ' B' ' 30' ' ' ALA . 27.2 m -70.07 -30.35 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.99 13.9 3.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.299 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.611 ' H ' HG23 ' B' ' 28' ' ' VAL . . . -140.42 -170.04 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.075 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 61.26 13.75 5.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.783 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -73.93 -22.12 59.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.9 t -80.88 175.73 10.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.646 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.5 mt -108.06 -12.68 15.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.128 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.474 ' N ' HD12 ' B' ' 35' ' ' ILE . 3.8 mp 59.42 98.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -138.95 151.61 47.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.939 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.506 HG12 ' H ' ' B' ' 39' ' ' GLY . 32.0 t -64.1 132.07 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.964 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.39 -33.07 74.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.058 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLY . . . . . 0.506 ' H ' HG12 ' B' ' 37' ' ' VAL . . . -77.5 -101.26 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.503 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -126.29 149.75 48.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.664 0.269 . . . . 0.0 110.791 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -139.29 -71.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.98 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.45 -11.48 29.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 40.6 t -59.32 141.77 53.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 15.5 tpt -146.23 125.28 12.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.061 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.415 ' HG2' HG12 ' A' ' 73' ' ' ILE . 28.5 mt-10 -68.37 148.93 50.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.725 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -121.81 137.36 27.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.072 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -101.78 172.97 0.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.261 2.641 . . . . 0.0 112.617 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.29 142.63 59.02 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.02 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.83 -43.11 1.9 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.363 2.042 . . . . 0.0 112.498 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -146.61 154.0 40.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.034 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.21 141.31 57.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -168.89 -162.76 21.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.572 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -124.13 129.72 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 111.202 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 73.2 t -74.49 109.12 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -85.62 -67.81 0.78 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -149.84 126.0 10.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -57.02 152.57 12.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.657 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -112.78 -21.88 10.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.706 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 26.7 m -120.6 155.87 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -107.3 150.29 26.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.764 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 46.1 t -66.26 124.77 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.14 13.08 25.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -114.69 120.14 39.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -53.91 142.18 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.091 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.16 158.13 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.987 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -144.18 158.66 43.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.018 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 71.7 p -62.65 122.06 14.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.34 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.52 -10.93 35.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.697 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 96.9 p -88.18 143.24 27.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 111.078 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 62.9 mt -85.8 146.52 26.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.735 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.517 HG13 ' H ' ' B' ' 72' ' ' MET . 10.3 pt -112.2 -52.75 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.601 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.517 ' H ' HG13 ' B' ' 71' ' ' ILE . 64.6 mtt -148.61 168.62 22.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.031 0.443 . . . . 0.0 111.336 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 27.7 mt -129.8 138.82 53.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.012 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -117.81 129.56 55.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.846 0.355 . . . . 0.0 111.464 -179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -97.92 92.72 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.228 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.426 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 9.2 p -93.38 151.56 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.959 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -99.8 152.86 19.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.745 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.32 -79.57 0.07 OUTLIER Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.882 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.0 132.68 53.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.306 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.09 152.84 92.71 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.38 -66.45 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.372 2.048 . . . . 0.0 112.451 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.36 -78.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 56.14 89.6 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.382 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.569 ' H ' ' HD2' ' B' ' 85' ' ' PRO . . . -169.87 -51.41 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.586 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' PRO . . . . . 0.569 ' HD2' ' H ' ' B' ' 84' ' ' ALA . 90.9 Cg_endo -79.46 -52.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.073 1.849 . . . . 0.0 112.585 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . 58.48 -178.75 0.07 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.272 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -139.15 154.04 48.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 20.1 pm0 -130.16 156.03 45.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.878 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.4 p -135.71 -26.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.014 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp 61.04 103.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.261 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -150.58 157.52 43.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.77 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.9 m -115.93 16.69 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.293 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 60.85 -170.27 0.15 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.4 m -128.42 148.54 68.45 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.327 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.3 134.05 53.18 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.523 2.149 . . . . 0.0 112.127 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -94.34 169.33 10.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 pt -74.62 -17.63 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.179 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.2 p -89.45 140.75 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -156.27 -67.79 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.977 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.1 p -128.0 -27.62 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.5 m -64.15 106.21 1.03 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -128.06 -55.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.8 t 61.03 102.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.27 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.5 ttt -159.57 141.63 13.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.8 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.1 t -133.42 127.27 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.02 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -81.47 104.58 12.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.0 t -85.23 106.58 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -164.17 85.29 0.1 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.414 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -102.31 125.1 48.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 0.0 110.978 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -164.25 -40.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.634 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.76 109.72 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 62.13 -81.93 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.525 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 61.06 -177.94 0.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.331 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -162.69 171.55 16.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -125.55 -25.63 3.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.977 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.4 m -118.04 110.82 18.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' HG ' HG23 ' A' ' 35' ' ' ILE . 55.8 tp -96.35 -75.12 0.54 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.781 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.422 HG23 ' HG ' ' A' ' 34' ' ' LEU . 38.5 pt -141.62 158.1 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.982 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.4 p 51.17 -168.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.567 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -101.57 123.3 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -100.34 167.68 10.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.57 -131.03 1.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.584 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -129.85 140.53 50.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.872 0.367 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -74.09 173.51 9.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.42 ' O ' HG13 ' B' ' 76' ' ' VAL . . . -134.33 61.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.015 0.435 . . . . 0.0 111.357 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.9 p -67.69 145.24 54.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.671 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.0 tpt -140.34 119.61 12.95 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -76.62 122.61 24.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.859 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 26.8 m -96.64 141.73 23.52 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 79.8 Cg_endo -101.83 169.48 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.183 2.589 . . . . 0.0 112.539 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.49 143.96 42.31 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.54 -43.21 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.499 2.133 . . . . 0.0 112.915 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -147.11 152.76 39.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.773 0.321 . . . . 0.0 111.15 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.07 150.55 47.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.492 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.14 -159.26 23.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.214 -0.994 . . . . 0.0 113.068 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 31.9 t -132.03 143.62 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.647 0.261 . . . . 0.0 110.562 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -71.78 118.21 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.92 0.391 . . . . 0.0 110.976 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -81.36 -61.08 2.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -160.34 134.62 7.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.465 ' HB2' HG22 ' B' ' 61' ' ' VAL . 6.6 tt -73.99 141.49 45.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.81 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.541 ' HG3' HG13 ' A' ' 59' ' ' VAL . 19.7 ptpt -125.56 -13.63 6.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.287 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.541 HG13 ' HG3' ' A' ' 58' ' ' LYS . 27.4 m -120.29 139.73 46.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.913 0.387 . . . . 0.0 111.467 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -101.75 151.45 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.483 HG22 ' HB2' ' B' ' 57' ' ' LEU . 43.7 t -52.95 119.97 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.51 15.0 28.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.437 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -103.86 100.72 10.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 111.095 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -48.15 153.07 0.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.352 179.71 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 p -115.88 163.19 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.942 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -140.76 150.69 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.847 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.9 p -59.0 122.99 15.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.188 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.25 -3.43 51.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.515 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.0 t -101.66 130.06 47.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.495 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 77.2 mt -67.0 160.04 27.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.781 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.517 HG13 ' H ' ' A' ' 72' ' ' MET . 12.7 pt -122.34 -52.13 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.403 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.517 ' H ' HG13 ' A' ' 71' ' ' ILE . 96.4 mmm -145.88 167.47 23.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.828 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.4 mt -134.43 129.33 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -107.0 152.93 23.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.993 0.425 . . . . 0.0 111.6 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.612 ' HB3' ' HE3' ' B' ' 41' ' ' LYS . 44.0 mt-10 -114.37 94.46 4.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.239 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 p -99.89 119.36 47.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.08 0.466 . . . . 0.0 111.769 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -82.86 102.71 11.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.754 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.39 -68.29 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.565 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -149.96 123.22 8.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 0.0 111.078 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.428 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . . . -92.31 137.72 24.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 18.2 Cg_exo -66.53 -172.04 0.28 Allowed 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.607 2.205 . . . . 0.0 112.313 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.59 157.59 18.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.08 149.31 38.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.02 151.16 51.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.28 123.19 10.0 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.371 2.047 . . . . 0.0 112.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.13 153.33 35.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -112.38 111.16 21.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 61.03 101.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.168 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.804 -179.944 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.73 0.3 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.9 t 61.8 101.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.314 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -158.52 112.56 2.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.777 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -140.4 119.69 12.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.602 HG13 ' H ' ' B' ' 7' ' ' VAL . 11.0 p -139.35 -4.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.957 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 65.4 t30 62.43 19.8 11.41 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.068 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.602 ' H ' HG13 ' B' ' 5' ' ' VAL . 86.5 t -133.71 131.8 21.36 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.015 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.23 135.95 28.12 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.318 2.012 . . . . 0.0 112.215 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -146.03 155.85 43.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 pt -99.06 167.64 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -114.8 130.75 68.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.06 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -124.38 -49.09 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 24.6 m -113.44 157.19 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.196 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -99.37 -25.46 14.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.264 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.531 ' HG3' HG23 ' B' ' 20' ' ' VAL . 10.5 tp10 -150.67 117.44 5.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.531 HG23 ' HG3' ' B' ' 19' ' ' GLU . 53.0 t 65.06 144.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.444 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 48.9 ttm -126.02 -36.52 2.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 29.5 m -94.91 -178.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.937 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -169.92 -66.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 p -154.47 -24.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.87 -134.91 6.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.394 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -124.05 128.09 48.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.779 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -141.3 -8.05 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.84 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 25.9 m -105.99 142.65 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.21 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -166.45 -66.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.37 175.34 7.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -161.65 -27.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -75.91 -1.49 25.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 59.4 m -74.76 -66.09 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 48.0 tp 60.49 99.26 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 36.0 pt -95.01 141.07 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.071 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 77.7 p -141.73 -51.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 p -112.52 -30.6 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.57 111.7 4.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.41 -44.66 1.1 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.425 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -152.62 124.25 7.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.715 0.293 . . . . 0.0 110.832 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.612 ' HE3' ' HB3' ' A' ' 75' ' ' GLU . 53.3 tptt -169.65 89.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.646 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.72 134.74 34.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.55 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.6 p -136.92 130.83 32.21 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.668 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 16.3 tpt -122.29 126.91 49.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.998 0.427 . . . . 0.0 111.76 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -83.14 118.28 23.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.247 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.4 m -91.97 141.2 25.1 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.521 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.495 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 68.1 Cg_endo -101.85 170.46 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 123.277 2.651 . . . . 0.0 112.409 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.25 143.19 41.75 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.856 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.81 -42.2 1.21 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.455 2.103 . . . . 0.0 112.676 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -148.2 154.52 40.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 111.108 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.01 147.85 49.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.06 -156.79 17.43 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.586 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.462 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 33.4 t -131.29 144.89 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 0.0 111.002 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -71.88 119.11 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -82.52 -63.77 1.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -157.4 136.22 11.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.483 ' HB2' HG22 ' A' ' 61' ' ' VAL . 6.6 tt -75.97 140.68 42.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.766 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' LYS . . . . . 0.534 ' HG3' HG13 ' B' ' 59' ' ' VAL . 19.8 ptpt -124.97 -12.23 7.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.523 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.534 HG13 ' HG3' ' B' ' 58' ' ' LYS . 25.4 m -121.76 139.69 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.95 0.405 . . . . 0.0 111.445 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -102.07 151.47 22.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 57' ' ' LEU . 41.9 t -52.56 119.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.41 12.98 31.83 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.645 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -101.98 103.08 13.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.746 0.307 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -50.56 153.63 1.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.34 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.42 HG22 ' H ' ' B' ' 66' ' ' LYS . 4.1 p -114.67 165.11 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.42 ' H ' HG22 ' B' ' 65' ' ' VAL . 68.3 mttm -143.62 151.37 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.861 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 78.7 p -59.89 122.9 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.242 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.7 -2.62 52.8 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.44 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.2 t -102.51 129.63 49.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.341 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 79.8 mt -66.8 160.45 25.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.806 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.513 HG13 ' H ' ' B' ' 72' ' ' MET . 14.1 pt -122.78 -52.41 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.319 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.513 ' H ' HG13 ' B' ' 71' ' ' ILE . 95.1 mmm -146.45 166.97 24.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.927 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 12.2 mt -133.16 135.28 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.436 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -113.08 152.62 29.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.032 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -114.18 92.9 4.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 42' ' ' ALA . 1.3 p -99.11 121.95 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.854 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.86 115.28 22.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -118.26 -126.29 3.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -136.53 149.44 48.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.11 152.9 96.13 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -64.01 165.9 17.89 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.35 2.034 . . . . 0.0 112.312 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.413 ' H ' ' H ' ' B' ' 83' ' ' ALA . . . -157.49 -17.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.413 ' H ' ' H ' ' B' ' 82' ' ' ALA . . . -79.14 133.29 36.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.558 ' HB3' ' HD3' ' B' ' 85' ' ' PRO . . . -74.95 -48.81 4.48 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.674 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' B' ' 84' ' ' ALA . 52.5 Cg_exo -55.19 135.98 71.31 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.291 1.994 . . . . 0.0 112.354 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -114.77 -7.2 12.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -85.98 -26.66 25.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 59.73 -177.57 0.09 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.003 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.006 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mtp . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.525 HG23 ' HG3' ' A' ' 4' ' ' GLU . 31.1 m -105.58 -17.91 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.028 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.0 tptm 58.97 96.28 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.041 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.525 ' HG3' HG23 ' A' ' 2' ' ' VAL . 41.8 mt-10 -113.74 135.87 53.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.784 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.2 m -123.72 150.31 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.347 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -153.5 -24.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.595 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 p -120.02 130.96 24.58 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.797 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.4 130.81 24.7 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.367 2.044 . . . . 0.0 112.365 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -137.2 -34.06 0.73 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.3 tt -85.37 -36.2 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.9 p -89.3 139.64 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.17 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -141.05 145.24 35.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.4 t -94.78 114.4 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.273 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.3 m -147.27 -58.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.994 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -93.5 133.67 36.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.763 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.4 t -111.86 -40.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.289 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.7 ttm 58.35 98.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.7 m -59.4 140.3 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.57 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.28 160.84 13.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.761 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.61 139.49 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.382 . . . . 0.0 111.315 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.14 -34.7 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.276 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -113.98 131.47 56.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 110.674 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HD2' ' HB2' ' A' ' 30' ' ' ALA . 59.6 pttt -132.76 144.31 50.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.107 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.7 m -117.63 -4.16 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.98 -15.83 0.26 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.402 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . . . 60.52 -85.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.406 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -140.91 -174.95 4.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.2 102.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.638 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.7 m -103.17 134.58 46.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.941 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 34' ' ' LEU . 7.3 mp -71.32 116.16 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.3 pp -119.91 172.8 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.191 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.7 t -105.27 148.62 26.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.321 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.07 148.75 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -86.57 126.49 34.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.91 119.49 3.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.588 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -107.28 113.97 27.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 110.75 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.499 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 11.7 mmpt? -80.54 178.82 8.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.08 -87.07 0.54 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.058 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.525 ' HB2' ' HG3' ' B' ' 75' ' ' GLU . 47.0 t -58.7 136.28 57.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.995 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 65.5 mtt -145.96 119.84 9.32 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.861 0.362 . . . . 0.0 111.267 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.505 ' HG2' HD12 ' B' ' 73' ' ' ILE . 32.1 mt-10 -67.79 153.01 44.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.851 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.5 m -136.59 139.58 29.73 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.025 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 70.5 Cg_endo -101.78 154.55 0.35 Allowed 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.211 2.607 . . . . 0.0 112.639 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.37 148.62 97.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.17 -48.8 0.33 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.435 2.09 . . . . 0.0 112.632 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -149.86 153.27 36.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.972 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.78 141.52 55.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.669 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.457 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -164.03 -167.03 23.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.915 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.9 t -135.59 129.75 49.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.754 0.311 . . . . 0.0 110.476 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.0 t -71.4 101.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -100.17 -39.87 7.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -149.19 108.34 3.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -65.47 170.83 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.0 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -128.62 -38.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 t -118.58 162.76 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.747 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -111.56 147.53 35.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.677 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.2 t -62.8 120.93 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.62 -6.26 14.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -104.34 125.8 50.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -55.12 157.03 3.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.993 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 66' ' ' LYS . 9.3 p -114.51 159.58 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.233 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' N ' HG22 ' A' ' 65' ' ' VAL . 98.9 mttt -141.33 157.57 45.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.692 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.8 p -64.34 132.76 51.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.33 -13.23 67.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.561 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.4 t -89.52 142.29 27.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 70' ' ' LEU . 7.3 mp -79.09 165.84 22.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 72' ' ' MET . 19.7 pt -126.24 -47.79 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.577 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.477 ' N ' HG13 ' A' ' 71' ' ' ILE . 19.5 ptp -165.67 145.05 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.693 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.541 HD12 ' HG2' ' B' ' 45' ' ' GLU . 8.9 mm -106.68 133.03 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 111.265 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.457 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 55.9 m-85 -107.69 161.34 14.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.879 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.518 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 28.6 tt0 -129.78 92.1 3.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.192 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 p -94.15 116.87 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -114.69 43.89 1.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.677 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 56.05 -124.86 35.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.411 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.41 130.99 35.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.54 153.02 89.76 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.85 -28.67 24.53 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.417 2.078 . . . . 0.0 112.222 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.51 -62.81 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.06 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.93 149.04 50.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -113.34 96.61 40.23 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.51 112.87 2.27 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.365 2.043 . . . . 0.0 112.023 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -159.69 11.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -130.21 -16.94 3.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.014 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 57.75 -169.38 0.11 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.92 179.866 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.813 0.34 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 t -86.3 126.47 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.037 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -96.18 127.48 42.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -121.35 154.4 36.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 26.8 m -118.37 144.31 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 16.2 m120 58.99 98.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 29.9 m -59.77 132.52 89.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.133 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.01 135.99 54.3 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.503 2.135 . . . . 0.0 112.438 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -90.84 112.78 24.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.764 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 45.1 pt -97.88 153.21 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.304 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 38.4 t -100.97 -48.31 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -115.48 150.25 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 57.3 t -75.72 131.95 34.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 57.2 m -61.31 -44.08 97.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -82.53 111.36 18.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.779 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 p -91.18 -32.84 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 46.5 tpp -92.13 118.82 31.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.791 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 25.5 t -111.46 -45.93 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.047 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 59.87 96.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.946 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -105.86 118.63 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.002 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.2 69.06 0.85 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.615 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -86.68 140.58 29.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.672 0.272 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 59.76 106.01 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 44.0 t -87.4 110.46 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.02 119.72 33.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.43 132.43 43.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -146.06 -7.13 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.804 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -108.85 14.32 24.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 78.4 p -59.02 167.32 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.9 tp 60.89 102.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.07 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 8.0 tp -139.35 143.42 31.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.065 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 73.5 p -97.26 169.74 9.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.288 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.3 t 59.0 97.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.371 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -121.39 -13.58 8.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.74 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.74 -4.91 4.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.346 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -74.58 129.37 37.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.806 0.336 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -93.56 -13.67 27.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.827 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.41 -79.51 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.271 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.518 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 45.0 t -59.59 133.31 55.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.973 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 66.7 mtt -139.18 124.57 19.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.015 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.541 ' HG2' HD12 ' A' ' 73' ' ' ILE . 34.2 mt-10 -72.38 152.15 42.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.45 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 24.9 m -134.34 138.87 31.24 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.371 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 64.3 Cg_endo -101.73 155.83 0.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.233 2.622 . . . . 0.0 112.471 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.23 148.39 98.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.52 -47.98 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.354 2.036 . . . . 0.0 112.857 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -150.04 154.69 38.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.99 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.59 141.36 58.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.268 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.75 -159.72 12.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.495 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.4 t -137.67 133.33 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.75 0.31 . . . . 0.0 111.259 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.3 t -73.01 102.29 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -100.26 -40.23 7.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -149.13 109.29 4.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -65.6 171.83 3.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -129.19 -38.79 1.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 t -118.51 164.13 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.743 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -112.48 148.23 34.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.752 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.52 120.06 9.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.98 -6.58 13.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.601 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -103.58 126.58 50.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' B' ' 64' ' ' LYS . 0.0 OUTLIER -55.78 156.36 5.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.091 -179.74 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.0 p -112.67 160.81 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.098 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -143.68 159.69 42.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.821 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 77.0 p -66.6 131.0 45.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.2 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.87 -12.37 65.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.496 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 46.1 t -90.67 143.43 26.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.43 ' N ' HD12 ' B' ' 70' ' ' LEU . 7.6 mp -80.74 166.25 21.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.736 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.467 HG13 ' N ' ' B' ' 72' ' ' MET . 21.0 pt -127.1 -46.25 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.546 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.467 ' N ' HG13 ' B' ' 71' ' ' ILE . 20.3 ptp -168.07 143.96 3.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.885 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.505 HD12 ' HG2' ' A' ' 45' ' ' GLU . 5.6 mm -105.17 139.72 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.72 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' A' ' 43' ' ' SER . 47.3 m-85 -115.42 159.28 21.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.292 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.525 ' HG3' ' HB2' ' A' ' 43' ' ' SER . 20.7 tt0 -127.08 92.41 3.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.883 0.373 . . . . 0.0 110.327 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -90.86 117.04 33.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.795 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -128.15 -22.6 3.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 121.82 -66.76 0.46 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.451 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -153.02 135.26 14.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.337 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.53 151.83 56.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.22 -3.28 13.57 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.455 2.104 . . . . 0.0 112.291 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.39 111.03 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.61 -179.51 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.35 154.61 66.34 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.16 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -66.98 -63.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.393 2.062 . . . . 0.0 112.342 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -170.2 -68.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.381 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -84.32 107.59 16.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.143 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -146.11 -11.85 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.964 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 ttp . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.0 m -95.34 155.86 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.054 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.2 tptp 60.04 99.29 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.969 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -128.73 87.56 2.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.084 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.489 HG12 HG23 ' A' ' 7' ' ' VAL . 42.7 t 64.15 144.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.325 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -107.41 105.32 15.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.489 HG23 HG12 ' A' ' 5' ' ' VAL . 59.8 t -135.2 128.45 18.44 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.61 158.21 58.68 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.185 1.923 . . . . 0.0 112.022 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -128.72 90.17 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.2 pt -139.8 168.06 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.2 t -120.97 -72.2 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -142.51 136.73 29.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.496 HG12 HG23 ' A' ' 18' ' ' THR . 24.9 t -67.91 -70.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.496 HG23 HG12 ' A' ' 17' ' ' VAL . 45.3 p -134.76 153.53 51.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -86.3 -38.01 17.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.141 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.4 m 42.92 -162.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.977 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.4 -1.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.4 t -75.47 -54.41 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.183 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -71.53 -72.64 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.023 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.4 m -74.93 157.32 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.166 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.18 147.83 19.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.464 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -118.31 125.2 49.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.742 0.306 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -131.05 94.6 3.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.78 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.4 t -127.65 -64.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.67 147.08 27.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.078 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.78 -60.54 0.09 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 59.13 -172.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 58.58 15.95 3.97 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.0 m -154.82 166.08 34.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.822 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.3 mt -102.54 -78.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.9 tt -170.31 -29.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.347 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -141.26 141.39 33.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.248 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -81.47 112.64 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -63.41 -64.26 0.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.04 -112.34 0.84 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -137.97 145.55 42.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -74.33 -169.87 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.754 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -112.15 135.13 53.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.567 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.9 p -143.24 146.79 33.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.858 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 26.3 mmt -128.78 121.8 29.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.918 0.389 . . . . 0.0 111.409 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.516 ' HB3' HD22 ' B' ' 70' ' ' LEU . 2.3 mp0 -79.17 146.75 32.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.677 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.44 HG22 ' O ' ' B' ' 72' ' ' MET . 34.6 m -129.89 150.42 75.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -101.3 166.75 0.35 Allowed 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 123.202 2.601 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.51 141.67 52.9 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.81 -49.92 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.42 2.08 . . . . 0.0 112.437 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -145.47 151.41 38.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' B' ' 66' ' ' LYS . . . -62.46 126.38 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.03 -178.03 23.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.548 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.44 HG13 ' HD3' ' B' ' 64' ' ' LYS . 63.9 t -116.4 119.98 63.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.781 0.324 . . . . 0.0 110.645 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.401 HG12 ' H ' ' B' ' 62' ' ' GLY . 91.9 t -71.57 126.46 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.001 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -143.39 -39.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.286 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -127.52 100.06 5.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.961 0.41 . . . . 0.0 111.366 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -71.19 162.45 29.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.818 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -134.08 5.91 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.5 m -142.43 147.9 20.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.206 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -110.35 150.93 28.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.795 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.77 120.4 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.464 ' H ' HG12 ' B' ' 54' ' ' VAL . . . 95.19 4.16 61.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.416 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -98.1 125.69 43.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 111.05 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' HD3' HG13 ' B' ' 53' ' ' VAL . 34.9 mmtp -51.75 155.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.167 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -142.02 144.74 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.001 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -137.56 161.8 35.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.4 p -58.05 142.51 46.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.55 -25.32 19.05 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.645 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.7 m -79.28 136.61 37.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.747 0.308 . . . . 0.0 111.055 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.463 HD22 ' HB3' ' B' ' 45' ' ' GLU . 76.0 mt -68.24 128.26 35.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.736 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 72' ' ' MET . 21.8 pt -93.51 -46.96 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.448 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.457 ' N ' HG13 ' A' ' 71' ' ' ILE . 50.5 ttm -167.49 149.67 5.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.738 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.8 mt -116.97 131.26 70.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.057 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -105.76 156.83 17.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.237 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -98.92 93.0 5.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.559 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 p -107.58 117.15 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.237 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -77.31 123.98 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -87.06 -133.56 3.79 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.599 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.57 152.4 23.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.805 0.336 . . . . 0.0 111.17 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.89 151.33 97.04 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.81 120.88 8.85 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.482 2.122 . . . . 0.0 112.346 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -136.86 178.61 6.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.974 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.57 -173.41 4.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 56.06 78.01 0.4 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -79.2 -16.18 12.42 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.521 2.147 . . . . 0.0 112.429 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.94 -177.19 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.25 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 64.07 115.61 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.363 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -94.4 -33.98 12.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.844 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.133 -0.937 . . . . 0.0 111.062 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.6 p -135.28 126.11 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.558 ' HE3' ' HA ' ' B' ' 3' ' ' LYS . 0.0 OUTLIER -111.29 -49.59 3.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.511 179.655 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 57.75 94.12 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.152 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 m 34.34 86.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.445 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -159.39 128.96 5.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.781 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 p -103.01 130.65 23.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.27 145.64 12.16 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.485 2.123 . . . . 0.0 112.176 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -165.25 -17.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -126.26 106.27 15.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.033 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -106.21 145.45 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -134.19 3.64 3.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 47.5 t -73.84 -72.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.145 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 86.4 m 61.73 103.78 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.179 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.13 140.5 56.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.797 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 25.8 m -64.84 147.01 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 25.0 ttt -162.5 -42.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.678 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 28.4 m -130.42 170.47 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.429 ' N ' ' HD2' ' B' ' 23' ' ' LYS . 0.3 OUTLIER -84.24 125.84 32.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.695 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -123.37 93.08 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.73 173.0 31.79 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.569 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -108.01 161.68 14.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.786 0.327 . . . . 0.0 110.985 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -111.65 148.37 33.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 42.5 t -75.12 -29.31 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.28 179.85 8.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.31 118.26 36.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.65 131.97 34.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.996 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -130.61 -32.72 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.739 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -146.19 165.51 28.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.765 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 62.2 mt -112.76 146.84 38.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.733 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 70.9 mt -77.69 127.96 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 48.5 m 59.99 100.29 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 31.5 m -134.92 -36.38 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.192 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -166.88 102.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.44 170.54 13.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.51 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -66.76 147.31 53.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.731 0.3 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -138.6 58.06 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.78 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -174.03 119.81 0.27 Allowed 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.039 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.8 p -135.91 142.47 44.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.653 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 26.3 mmt -121.71 129.04 52.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.927 0.394 . . . . 0.0 111.102 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.463 ' HB3' HD22 ' A' ' 70' ' ' LEU . 2.4 mp0 -85.44 148.51 25.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.581 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 72' ' ' MET . 35.0 m -130.56 149.78 74.46 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.262 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -101.44 166.69 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.228 2.618 . . . . 0.0 112.53 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.46 141.37 52.75 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.82 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.9 -49.0 1.62 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.429 2.086 . . . . 0.0 112.525 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -146.4 152.84 39.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.43 129.21 39.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.284 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -156.07 -173.78 25.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.202 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.493 HG13 ' HD3' ' A' ' 64' ' ' LYS . 58.7 t -116.49 124.79 73.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.018 0.437 . . . . 0.0 111.503 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 62' ' ' GLY . 83.3 t -74.13 127.44 35.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.865 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -144.63 -38.56 0.28 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.462 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -127.94 100.11 5.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.844 0.354 . . . . 0.0 111.305 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -71.64 162.36 29.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.669 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -133.35 3.39 3.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.986 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 28.9 m -139.46 149.06 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.228 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -111.47 150.63 29.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.639 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.61 119.73 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLY . . . . . 0.401 ' H ' HG12 ' A' ' 54' ' ' VAL . . . 96.92 1.69 59.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.281 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -95.67 130.36 42.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.734 0.302 . . . . 0.0 110.816 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.44 ' HD3' HG13 ' A' ' 53' ' ' VAL . 34.7 mmtp -56.77 155.41 7.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.0 p -140.66 145.79 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 51' ' ' ALA . 97.2 mttt -139.73 162.22 35.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 72.6 p -58.33 140.9 52.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.261 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.98 -23.03 31.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.599 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 63.3 m -81.19 135.96 35.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.95 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.516 HD22 ' HB3' ' A' ' 45' ' ' GLU . 71.8 mt -67.93 127.9 34.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.723 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.461 HG13 ' N ' ' B' ' 72' ' ' MET . 20.2 pt -93.22 -46.9 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.377 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.461 ' N ' HG13 ' B' ' 71' ' ' ILE . 49.7 ttm -168.47 148.83 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 15.5 mt -114.06 137.37 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.662 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -113.13 150.93 31.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.979 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -93.33 92.02 7.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.899 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.6 p -105.42 117.68 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.19 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.82 138.05 35.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.09 -118.15 2.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.57 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.02 118.48 23.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 0.0 111.058 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.92 146.14 33.21 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.23 -29.91 4.64 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.411 2.074 . . . . 0.0 112.483 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.45 -55.59 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.332 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 60.7 -179.27 0.1 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -128.8 81.33 71.01 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.425 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.77 140.31 32.02 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.6 2.2 . . . . 0.0 112.153 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.01 143.27 56.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -89.89 -40.19 12.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -108.29 -74.98 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.93 179.841 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtm . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.617 0.246 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 50.6 t 61.93 -84.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt 59.62 106.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.367 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -61.45 125.4 23.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.707 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.0 t -78.24 -63.46 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.164 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -108.6 142.72 38.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.9 m -83.31 154.35 66.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.017 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.85 161.84 4.32 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.5 2.133 . . . . 0.0 112.347 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -87.78 148.27 24.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.447 ' O ' HG12 ' A' ' 15' ' ' VAL . 17.2 tt -75.44 153.39 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 10' ' ' ILE . 6.4 p 44.7 26.49 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.854 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -100.64 -64.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.87 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.0 t -105.92 106.78 21.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.8 m -97.46 129.76 44.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.34 4.73 4.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.775 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.1 t -99.29 134.93 36.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.839 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 96.0 mmm -90.39 140.02 30.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.4 t -101.22 -76.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt 56.79 95.31 0.02 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.927 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -79.61 -63.76 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.302 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.51 125.26 8.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.734 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -107.54 117.16 33.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.662 0.268 . . . . 0.0 110.549 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -131.94 108.16 9.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.4 t -135.22 -30.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.649 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.63 164.18 30.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 61.23 107.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.252 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -94.43 -45.87 7.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.729 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -70.98 123.79 22.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.8 p -98.79 15.37 25.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.049 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.2 tp 61.28 101.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.577 HG13 ' H ' ' A' ' 37' ' ' VAL . 37.6 pt -102.41 -15.32 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.331 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.2 p 51.79 22.58 1.74 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.56 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.577 ' H ' HG13 ' A' ' 35' ' ' ILE . 65.0 t -88.69 116.55 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -134.24 -67.15 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.796 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -161.43 -139.25 2.61 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.355 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -132.08 116.16 16.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.85 0.357 . . . . 0.0 110.81 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -116.99 134.26 54.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -148.18 142.52 26.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.0 m -140.89 146.25 37.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.993 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.8 tpt -126.48 119.41 27.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.957 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.404 ' HG3' HG12 ' B' ' 73' ' ' ILE . 2.8 mp0 -78.97 139.89 38.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.704 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.445 HG22 ' O ' ' B' ' 72' ' ' MET . 34.7 m -117.75 143.34 32.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.847 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 53.1 Cg_endo -101.91 161.72 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.264 2.643 . . . . 0.0 112.613 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.14 141.15 70.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.198 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.74 -42.01 1.92 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.472 2.114 . . . . 0.0 112.551 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.59 150.64 33.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.981 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.57 153.25 32.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.574 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.448 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . 174.1 163.25 27.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.181 -1.009 . . . . 0.0 113.171 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.86 132.9 41.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.744 0.306 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 88.3 t -74.37 125.35 33.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -117.65 -52.32 2.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -137.1 118.55 14.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.401 ' HA ' ' SD ' ' A' ' 72' ' ' MET . 2.2 pt? -73.73 165.58 24.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' HG2' ' HB2' ' A' ' 70' ' ' LEU . 28.2 tptp -110.25 -44.42 3.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -122.86 154.77 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -94.21 151.1 19.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.1 t -57.24 122.45 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.012 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.75 0.51 32.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.39 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -104.29 124.83 49.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.876 0.369 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -54.37 173.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.39 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.73 161.18 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -143.96 153.3 42.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.5 p -61.61 126.85 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.82 -7.21 52.81 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.557 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.3 m -103.12 136.86 42.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.75 0.31 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.459 ' HB2' ' HG2' ' A' ' 58' ' ' LYS . 64.6 mt -64.5 167.01 7.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.793 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.4 pt -136.29 -33.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.626 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.42 ' O ' HG22 ' B' ' 46' ' ' VAL . 55.4 tpp -166.1 158.46 14.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.89 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.414 HG12 ' HG3' ' B' ' 45' ' ' GLU . 23.5 mt -128.86 128.68 67.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.448 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 90.0 m-85 -109.0 154.19 22.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 111.852 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -94.72 95.85 9.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.777 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.89 118.94 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.511 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.42 124.39 22.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.78 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 176.61 -161.91 30.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.444 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.73 117.08 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 111.351 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.93 147.45 51.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.836 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.74 -30.04 54.76 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.457 2.104 . . . . 0.0 112.413 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.0 113.55 7.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.963 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -146.12 126.92 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -131.6 91.35 34.36 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.304 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.45 116.58 3.98 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.542 2.161 . . . . 0.0 112.214 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.13 4.8 39.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -68.73 143.93 54.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -74.17 110.81 8.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.006 -179.883 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 82.9 mtp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.69 0.281 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.0 t -114.27 -44.14 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.05 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -66.4 -30.31 70.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -103.25 139.61 38.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.936 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.4 t -104.0 -53.56 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.794 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 44.2 t30 61.43 107.38 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.388 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 46.6 t -122.57 123.59 26.96 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.07 152.37 24.36 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.414 2.076 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.1 t70 58.54 100.86 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.323 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 31.1 pt -140.73 139.81 34.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.371 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 10.2 p -77.32 -27.67 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.045 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -87.97 104.8 16.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.92 -64.53 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.768 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 81.1 p -104.5 -51.65 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.003 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -139.64 166.06 25.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.728 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 20.3 t -65.97 138.88 22.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.109 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 48.5 tpp -104.73 -64.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -106.55 151.3 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.431 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -121.37 -33.38 3.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m -109.61 145.53 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.167 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.14 174.88 23.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.462 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -71.65 120.41 17.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -124.25 -170.43 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.677 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 44.7 t -79.47 125.36 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.967 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.87 144.26 26.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 176.46 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.153 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.91 168.6 19.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -88.63 128.98 35.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 80.8 p -120.31 176.31 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.569 ' H ' HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -118.37 -176.74 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.96 179.888 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 44.2 mm -60.53 -78.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 56.9 m -159.46 -64.38 0.08 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 p -158.42 140.61 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.829 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -107.47 -20.09 13.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.36 172.56 26.56 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.729 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -130.02 153.16 48.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -137.58 28.21 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -170.08 121.09 0.64 Allowed 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.973 0.416 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 56.7 m -133.63 141.74 47.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.849 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 17.3 tpt -119.25 123.83 45.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.414 ' HG3' HG12 ' A' ' 73' ' ' ILE . 3.1 mp0 -82.59 140.57 33.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.761 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 72' ' ' MET . 35.4 m -118.0 142.89 31.68 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.09 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 62.3 Cg_endo -101.29 166.21 0.35 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.021 2.48 . . . . 0.0 112.487 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.72 141.0 55.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.74 -41.65 2.1 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.28 1.987 . . . . 0.0 112.396 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -150.19 152.71 35.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.979 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.48 148.49 50.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.108 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.408 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . 177.16 168.63 37.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.259 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 33.3 t -97.86 137.46 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 111.382 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.5 t -78.14 124.42 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.812 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -117.43 -54.16 2.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.289 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.04 120.7 19.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.047 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.41 ' H ' HD23 ' B' ' 57' ' ' LEU . 2.4 pt? -75.74 166.38 23.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.538 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' LYS . . . . . 0.471 ' HG2' ' HB2' ' B' ' 70' ' ' LEU . 28.3 tptp -110.93 -44.29 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -123.73 152.45 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.254 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -91.98 151.31 20.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 61.7 t -57.68 122.23 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.12 -1.61 29.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.436 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -102.22 128.19 48.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 110.817 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -57.26 175.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 p -138.46 160.24 31.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -144.66 154.15 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.072 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 75.4 p -61.81 126.4 27.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.256 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.23 -6.2 53.25 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 64.8 m -103.65 135.87 44.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.334 . . . . 0.0 111.013 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.471 ' HB2' ' HG2' ' B' ' 58' ' ' LYS . 68.5 mt -65.12 165.29 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 25.7 pt -134.5 -34.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.677 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.445 ' O ' HG22 ' A' ' 46' ' ' VAL . 54.5 tpp -165.1 157.51 15.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.774 0.321 . . . . 0.0 111.035 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.404 HG12 ' HG3' ' A' ' 45' ' ' GLU . 16.8 mt -127.33 131.72 70.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.301 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.408 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 80.1 m-85 -111.92 152.68 27.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 111.206 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -93.34 92.71 7.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.264 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.6 p -111.17 123.64 67.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.41 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.34 107.55 4.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.663 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -84.74 2.49 88.08 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.701 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.71 119.88 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 0.0 111.074 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.57 149.15 97.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.157 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.13 -179.99 4.44 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.375 2.05 . . . . 0.0 112.0 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.87 114.89 18.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.03 107.62 10.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.197 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.453 ' N ' ' HD2' ' B' ' 85' ' ' PRO . . . -68.93 -50.34 22.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.548 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' B' ' 84' ' ' ALA . 72.8 Cg_endo -76.03 108.3 2.65 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.092 1.861 . . . . 0.0 112.127 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.24 121.07 25.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.236 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt 65.0 148.5 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.173 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 62.3 104.51 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.089 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.931 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.4 mtm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.476 HG23 ' HD3' ' A' ' 3' ' ' LYS . 12.0 m -89.45 -37.81 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.243 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.476 ' HD3' HG23 ' A' ' 2' ' ' VAL . 14.8 mptt -101.66 -177.88 3.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.871 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -92.51 173.47 7.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -82.41 117.19 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 58.65 -178.82 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.021 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 32.6 m -136.52 148.71 64.92 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.85 159.57 48.18 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.307 2.005 . . . . 0.0 112.157 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -133.83 146.14 50.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.053 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.0 mm -100.68 118.58 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 p -67.96 138.62 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -166.5 163.46 17.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -134.9 11.04 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.055 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.0 m -74.63 -40.24 61.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 60.86 105.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.339 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -123.73 139.84 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.22 -50.4 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.756 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.0 t 64.82 123.16 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.325 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.466 ' HE3' ' HA ' ' A' ' 27' ' ' LYS . 88.0 tttt 60.85 101.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.1 t -125.81 -34.18 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.168 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.77 -99.41 2.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.692 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -55.0 145.35 20.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.839 0.352 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 3.7 mppt? -107.66 -80.48 0.57 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.2 m -141.01 -10.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.44 133.9 56.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.161 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.7 6.22 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -93.62 158.19 15.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -106.84 -53.32 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.1 t -143.43 131.44 21.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 34' ' ' LEU . 6.2 mp -100.0 10.89 40.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.705 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp -127.09 174.22 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.4 p -130.3 155.46 46.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.6 m -89.57 146.45 6.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.141 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -162.28 113.88 1.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.783 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.65 49.37 0.87 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.604 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -144.33 128.93 18.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 11.8 mptt -88.57 105.67 17.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.687 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.02 -85.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.434 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' B' ' 74' ' ' PHE . 47.3 m -57.19 113.19 1.62 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.754 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.7 ttt -122.71 119.62 31.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.311 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.53 ' HG2' HD12 ' B' ' 73' ' ' ILE . 28.4 mt-10 -72.05 141.7 49.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.566 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.2 m -128.04 147.48 63.41 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.273 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -101.73 153.62 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.282 2.655 . . . . 0.0 112.562 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.82 147.38 93.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.762 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -64.16 -52.62 1.51 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.398 2.066 . . . . 0.0 112.435 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -149.69 154.4 38.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.997 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.35 138.03 57.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.395 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.505 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -164.86 -172.74 32.69 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.095 -179.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.3 t -120.21 125.97 74.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.722 0.296 . . . . 0.0 110.397 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.405 HG22 ' SD ' ' A' ' 72' ' ' MET . 89.4 t -71.61 102.42 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.982 0.42 . . . . 0.0 111.212 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 19.0 ptpt -83.03 -45.83 13.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.997 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 40.2 tt0 -163.84 119.03 1.58 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.817 0.342 . . . . 0.0 111.152 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.78 150.11 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.954 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -118.4 -5.61 10.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.812 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.7 m -123.9 146.45 29.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.052 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -108.86 149.16 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.666 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.2 t -63.1 120.66 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.15 -21.86 36.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.393 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -77.79 110.27 12.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.742 0.306 . . . . 0.0 111.007 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -48.97 151.18 1.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.426 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -114.67 160.07 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -141.55 147.16 37.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.783 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.7 m -63.67 123.43 18.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.155 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.46 -16.56 26.65 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.823 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.1 p -87.99 158.3 18.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.777 0.323 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 70' ' ' LEU . 7.2 mp -80.19 147.14 31.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 72' ' ' MET . 19.6 pt -118.51 -44.42 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.43 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.445 ' N ' HG13 ' A' ' 71' ' ' ILE . 50.2 ttm -168.49 149.25 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.656 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.553 HD12 ' HG2' ' B' ' 45' ' ' GLU . 6.5 mm -113.55 134.6 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.153 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.505 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 57.4 m-85 -114.55 133.49 55.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.171 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.419 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 33.6 tt0 -98.62 92.84 5.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.159 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p -92.02 117.55 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.09 0.471 . . . . 0.0 111.239 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -78.86 149.47 32.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.825 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.72 170.93 46.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.645 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.24 151.47 26.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.353 . . . . 0.0 111.16 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.423 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . . . -90.49 125.25 60.35 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.298 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 34.4 Cg_exo -60.23 -31.65 93.3 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.519 2.146 . . . . 0.0 112.382 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.63 -46.38 59.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.0 142.87 50.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.291 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.559 ' H ' ' HD2' ' A' ' 85' ' ' PRO . . . -167.83 -51.97 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.497 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.559 ' HD2' ' H ' ' A' ' 84' ' ' ALA . 88.8 Cg_endo -80.16 178.1 7.53 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.114 1.876 . . . . 0.0 112.215 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.4 -18.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.249 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -78.11 -39.32 41.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.009 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 40.91 30.82 0.11 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.599 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.329 -0.844 . . . . 0.0 110.883 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.602 ' HG3' HG23 ' B' ' 2' ' ' VAL . 17.4 tpt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.695 0.283 . . . . 0.0 110.716 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.602 HG23 ' HG3' ' B' ' 1' ' ' MET . 49.2 t 58.99 93.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.898 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -104.13 127.5 51.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.84 153.57 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -125.42 -179.67 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -107.31 -7.34 16.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.078 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m -111.34 150.7 42.46 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.64 158.72 31.21 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.502 2.135 . . . . 0.0 112.126 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -135.24 -13.82 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.8 mt -93.89 123.04 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.052 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.9 m -130.54 2.84 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -97.74 141.22 31.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -92.19 177.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.1 p -85.8 179.49 7.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -81.48 145.98 30.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.95 137.59 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.214 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 25.5 mmt -105.39 -76.6 0.6 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.586 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 18.0 m 39.84 -158.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 O-C-N 123.67 0.606 . . . . 0.0 112.365 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -112.94 170.02 8.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.707 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 43.7 t -105.45 137.97 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.26 52.65 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.644 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.14 115.34 6.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.727 0.299 . . . . 0.0 110.673 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -138.98 -70.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.106 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 34.4 m -95.96 -1.03 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.348 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.48 5.78 40.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.04 123.23 36.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.091 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -96.17 111.67 23.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -104.6 -27.59 11.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 85.9 p 48.99 85.01 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.25 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 64.1 tp -115.56 115.14 25.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.771 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 7.2 tp -126.2 142.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.006 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 68.1 p -129.9 -43.31 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -168.05 144.99 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -117.24 -62.62 1.55 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.694 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.34 122.57 12.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.392 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -93.84 143.3 26.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 111.059 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 54.03 76.71 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.283 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.02 -79.77 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.739 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 74' ' ' PHE . 51.0 m -62.77 108.5 1.19 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.826 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 22.3 ttt -113.55 125.8 54.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.553 ' HG2' HD12 ' A' ' 73' ' ' ILE . 32.5 mt-10 -78.88 139.88 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.548 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 15.4 m -124.89 146.17 52.41 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.585 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 77.0 Cg_endo -101.53 154.81 0.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.332 2.688 . . . . 0.0 112.382 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.25 145.82 98.0 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.4 -53.59 1.8 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.429 2.086 . . . . 0.0 112.415 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -148.82 158.83 44.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.872 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.75 134.06 50.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.459 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . -163.18 -164.35 18.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 t -123.06 130.38 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 111.02 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.42 HG22 ' SD ' ' B' ' 72' ' ' MET . 89.6 t -73.68 104.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.104 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' B' ' 56' ' ' GLU . 18.8 ptpt -84.62 -46.94 11.02 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' B' ' 55' ' ' LYS . 39.3 tt0 -162.87 119.78 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -58.34 150.23 22.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -118.52 -5.28 10.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 26.1 m -123.94 146.31 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -108.98 149.44 29.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.719 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 35.3 t -63.06 119.8 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.21 -22.73 32.29 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.611 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -76.9 113.6 14.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.705 0.288 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -52.09 149.55 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.459 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.427 HG11 ' CE1' ' A' ' 74' ' ' PHE . 4.9 p -111.77 161.84 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.824 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -144.41 149.35 35.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.937 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 19.6 m -65.49 122.53 17.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.32 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.89 -16.37 25.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.591 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 96.0 p -88.07 157.43 18.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.896 0.379 . . . . 0.0 111.069 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.431 ' N ' HD12 ' B' ' 70' ' ' LEU . 7.4 mp -80.08 147.04 31.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.439 HG13 ' N ' ' B' ' 72' ' ' MET . 20.1 pt -118.3 -45.32 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.289 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.439 ' N ' HG13 ' B' ' 71' ' ' ILE . 49.7 ttm -168.69 148.43 4.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.53 HD12 ' HG2' ' A' ' 45' ' ' GLU . 4.5 mm -111.49 139.38 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.819 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.459 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 53.3 m-85 -120.77 129.06 53.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.941 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 31.4 tt0 -94.11 92.99 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.0 117.54 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.194 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -81.34 175.51 10.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -96.38 67.94 0.97 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.431 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -121.02 133.52 55.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.1 149.1 65.65 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.53 123.1 7.34 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.443 2.096 . . . . 0.0 112.534 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -164.21 -57.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -145.94 161.03 40.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.32 150.56 97.82 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.108 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.1 159.98 49.55 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.549 2.166 . . . . 0.0 112.35 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -147.42 108.41 4.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -134.99 105.01 6.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -149.81 -27.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.31 -0.853 . . . . 0.0 110.937 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.38 135.33 27.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.77 157.85 16.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -106.31 -10.24 16.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.01 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.51 -57.3 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.804 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -121.25 102.08 8.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.718 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.3 t -71.28 131.22 86.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.219 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.78 138.96 24.33 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.335 2.024 . . . . 0.0 112.245 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -107.97 140.12 41.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.582 HG22 HG13 ' A' ' 15' ' ' VAL . 4.5 mp -84.71 -67.74 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.582 HG13 HG22 ' A' ' 10' ' ' ILE . 20.9 m -140.84 -7.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.479 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -96.49 159.95 14.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.9 t -122.84 108.02 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 83.6 m 65.5 133.13 0.02 OUTLIER 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.302 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.34 -54.13 28.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -75.81 133.93 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -70.16 132.36 45.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.72 -20.25 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.181 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -133.29 -5.29 3.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.009 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.6 t -82.36 109.94 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.26 -149.97 21.94 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.591 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -134.91 150.83 50.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.65 ' HG2' HG23 ' A' ' 28' ' ' VAL . 64.1 tttp -125.16 126.66 45.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.752 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.65 HG23 ' HG2' ' A' ' 27' ' ' LYS . 65.2 t 63.89 114.83 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.327 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -141.97 -22.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.278 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.75 -14.05 7.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.234 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -92.09 134.62 34.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -161.48 156.72 23.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.203 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.3 p 47.42 -96.02 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.598 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.9 tp -170.45 -8.05 0.01 OUTLIER 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.657 0.265 . . . . 0.0 111.041 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.8 pt -54.42 140.94 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.202 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.1 p -132.46 -25.68 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.06 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.9 p -92.41 141.8 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -117.27 115.33 25.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.6 120.78 0.67 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.395 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -82.03 145.96 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -165.83 116.52 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.717 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' B' ' 76' ' ' VAL . . . -147.41 -81.64 0.13 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.552 ' HB3' ' HG2' ' B' ' 75' ' ' GLU . 82.8 p -58.45 145.77 37.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.622 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 47.0 tpp -161.72 119.56 2.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.877 0.37 . . . . 0.0 111.165 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.95 140.78 51.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.669 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.458 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 34.0 m -120.91 141.18 32.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.335 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 72.9 Cg_endo -101.61 171.48 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.293 2.662 . . . . 0.0 112.58 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.79 134.69 43.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.77 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -63.64 -52.46 1.84 Allowed 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.393 2.062 . . . . 0.0 112.458 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -141.06 152.09 44.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.16 164.46 6.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 162.7 166.29 21.23 Favored Glycine 0 C--N 1.33 0.202 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.885 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.455 HG22 ' HG2' ' B' ' 64' ' ' LYS . 35.1 t -101.01 130.93 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.822 0.344 . . . . 0.0 110.992 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.0 t -71.67 109.77 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -102.62 -32.89 9.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.838 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -165.67 135.6 3.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.298 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.516 HD23 ' H ' ' A' ' 57' ' ' LEU . 2.1 pt? -126.94 163.37 23.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.569 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -121.97 19.36 10.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.254 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.99 147.09 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.197 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -124.98 150.67 46.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.671 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.3 t -62.45 121.13 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.35 -6.07 45.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.544 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -97.48 124.97 41.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 0.0 111.188 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HG2' HG22 ' B' ' 53' ' ' VAL . 95.0 mttt -55.9 174.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.508 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.56 159.24 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.828 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -142.23 154.89 45.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.6 p -63.83 129.96 42.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.12 -6.9 60.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.542 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.1 t -95.15 133.07 39.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.3 mt -69.87 139.32 53.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.779 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.543 HG13 ' H ' ' A' ' 72' ' ' MET . 19.3 pt -106.63 -53.18 6.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.653 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.543 ' H ' HG13 ' A' ' 71' ' ' ILE . 63.9 mtt -148.68 161.11 42.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.862 0.363 . . . . 0.0 111.05 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.6 mt -134.13 124.86 47.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.632 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -103.59 159.13 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 111.258 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.535 ' HG2' ' HB3' ' B' ' 43' ' ' SER . 1.4 tm-20 -142.15 93.01 2.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.872 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.462 ' O ' ' HB1' ' B' ' 42' ' ' ALA . 7.4 m -86.21 158.74 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.463 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -113.13 8.35 18.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.22 -6.4 81.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.333 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -117.04 131.71 56.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.699 0.285 . . . . 0.0 110.987 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . . . -66.76 148.33 98.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.125 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 39.7 Cg_exo -60.39 138.84 83.33 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.49 2.126 . . . . 0.0 112.285 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.88 -34.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.62 -68.45 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 55.97 92.27 0.06 OUTLIER Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.45 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.58 119.27 6.28 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.401 2.068 . . . . 0.0 112.068 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -159.35 -46.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.977 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.3 tttm 60.23 17.62 7.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 63.96 118.4 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.277 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.951 179.784 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.6 ttm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.751 0.31 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 43.9 t -58.86 -29.09 39.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 59.44 99.41 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.478 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.12 -178.21 5.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.759 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.1 t -80.31 116.11 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.01 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -88.28 114.34 24.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -116.05 132.36 23.28 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.1 142.31 30.73 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.333 2.022 . . . . 0.0 112.465 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -90.84 147.33 23.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 37.5 pt -125.51 153.25 33.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -160.05 140.32 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.037 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -110.8 127.64 55.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 49.5 t -71.13 118.4 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 65.0 p 48.33 87.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.74 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.508 ' H ' ' CD ' ' B' ' 19' ' ' GLU . 0.0 OUTLIER -84.52 -171.83 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.746 179.769 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 m -63.7 146.98 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 51.3 ttm 59.52 98.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.3 m -139.02 -15.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.187 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -123.16 139.49 54.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.99 -50.31 38.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.85 117.65 2.32 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.39 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.61 110.47 5.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.985 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -128.27 -12.23 5.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.688 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 9.6 m 42.86 -163.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.093 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -159.87 116.59 2.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.21 160.3 14.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.255 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -95.59 -8.59 34.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 59.6 104.48 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.181 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 48.2 t -93.02 106.91 18.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.442 ' N ' HD12 ' B' ' 34' ' ' LEU . 6.1 mp -84.92 111.73 19.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 44.8 pt -95.22 -11.53 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 71.3 m 58.94 94.05 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.601 HG22 ' HG3' ' B' ' 38' ' ' GLU . 14.5 p -79.27 146.19 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.601 ' HG3' HG22 ' B' ' 37' ' ' VAL . 43.3 mt-10 61.15 103.37 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.125 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -147.14 -126.37 1.68 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -107.48 141.85 38.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.738 0.304 . . . . 0.0 110.826 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -90.77 19.42 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.613 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . 62.61 -85.66 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.926 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.535 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 80.0 p -61.52 145.27 52.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.296 179.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 47.3 tpp -158.67 122.38 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 111.172 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.15 140.75 45.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.616 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 34.9 m -120.34 140.88 30.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.427 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -101.75 173.15 0.27 Allowed 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.274 2.65 . . . . 0.0 112.362 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.15 134.7 40.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.421 ' HG3' HG11 ' A' ' 46' ' ' VAL . 30.7 Cg_endo -63.95 -52.17 1.86 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.279 1.986 . . . . 0.0 112.402 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -141.4 152.51 44.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.72 164.96 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.08 170.27 25.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.562 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.442 HG22 ' HG2' ' A' ' 64' ' ' LYS . 39.6 t -101.72 134.14 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.368 . . . . 0.0 111.372 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.44 109.46 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.251 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -102.24 -36.05 8.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -161.6 141.73 10.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.453 HD23 ' H ' ' B' ' 57' ' ' LEU . 2.2 pt? -133.34 162.83 30.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.387 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -122.07 19.59 10.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.219 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 29.5 m -125.89 146.29 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.256 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -124.93 151.28 45.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.644 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.07 120.74 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.42 -8.69 41.12 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.596 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.65 130.85 40.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.455 ' HG2' HG22 ' A' ' 53' ' ' VAL . 95.7 mttt -61.71 176.76 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.089 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.27 159.83 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -143.98 155.65 44.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.968 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 72.3 p -64.74 130.11 42.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.091 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.78 -6.17 60.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.439 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 46.9 t -95.93 132.58 41.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 78.1 mt -69.79 139.02 53.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.514 HG13 ' N ' ' B' ' 72' ' ' MET . 19.6 pt -106.33 -51.73 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.46 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.514 ' N ' HG13 ' B' ' 71' ' ' ILE . 65.1 mtt -150.43 161.96 41.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.896 0.379 . . . . 0.0 111.229 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 39.8 mt -135.25 127.85 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.329 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -107.6 160.29 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.928 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.552 ' HG2' ' HB3' ' A' ' 43' ' ' SER . 1.7 tm-20 -142.79 92.98 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.942 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.492 ' O ' ' HB1' ' A' ' 42' ' ' ALA . 2.7 m -84.47 158.6 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.204 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -115.49 -28.88 6.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.778 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.54 -40.67 2.61 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.57 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.36 139.69 35.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.73 0.3 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.41 145.92 98.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.05 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.81 -43.45 0.84 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.453 2.102 . . . . 0.0 112.291 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -137.7 144.16 41.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.47 112.62 13.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.158 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -147.5 85.07 6.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -73.72 163.2 37.86 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.488 2.126 . . . . 0.0 112.239 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.96 102.41 5.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.037 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -163.55 128.79 3.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -137.91 119.22 14.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.82 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.95 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.885 0.374 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.0 m -100.59 171.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -97.76 43.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.702 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 61.99 20.87 11.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -159.4 139.93 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.094 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -165.26 -8.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.7 m -88.67 151.07 47.33 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.18 129.22 21.16 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.412 2.074 . . . . 0.0 112.306 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -136.06 -49.65 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.0 mt -98.84 119.39 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.1 t -99.51 136.6 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.285 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -123.61 142.33 51.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.804 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.2 p -166.24 142.52 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.6 m -69.78 121.83 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.996 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -129.26 139.87 51.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.042 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -95.66 -42.56 12.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.058 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.7 mtm -101.5 122.38 43.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.8 t -105.82 -64.14 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -152.57 117.71 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.636 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -79.06 -69.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.395 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.16 119.7 5.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.83 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.88 165.51 13.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 110.473 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -76.19 107.18 8.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.765 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.5 m -106.23 -30.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.072 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.25 87.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.143 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -163.43 -175.93 4.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -103.05 138.25 40.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -73.59 -58.2 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.9 t 64.35 125.45 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.457 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.8 mm? -101.45 151.05 22.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.7 tt -89.24 137.15 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -153.58 152.89 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.0 m -94.47 163.36 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -104.8 163.74 12.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.31 -114.41 0.52 Allowed Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.112 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -69.74 144.92 52.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.623 0.249 . . . . 0.0 110.565 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -137.86 -58.28 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -163.6 -83.33 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 83.3 p -62.48 142.5 57.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.193 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.3 tpp -149.85 119.12 6.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.414 ' HG3' HG12 ' B' ' 73' ' ' ILE . 2.6 mp0 -71.29 154.21 41.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.823 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.429 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 35.8 m -127.9 138.29 32.6 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.561 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 64.7 Cg_endo -101.52 159.56 0.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.231 2.621 . . . . 0.0 112.634 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.36 130.89 85.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.82 -37.8 33.31 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.351 2.034 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -150.0 145.87 26.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.4 157.76 22.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.767 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.04 -165.96 38.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.996 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.0 t -120.59 139.01 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.682 0.277 . . . . 0.0 110.783 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.5 t -71.76 108.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.012 0.434 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -66.77 -63.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.039 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -162.35 141.59 9.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.92 132.01 52.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.642 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -120.6 -5.72 9.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.097 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.7 m -135.33 139.74 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 111.096 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -91.03 147.93 22.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.3 t -65.09 127.61 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.43 1.08 60.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.444 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -94.71 106.88 18.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 111.018 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -48.32 148.75 1.77 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.964 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 66' ' ' LYS . 3.4 p -109.73 164.68 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.291 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.403 ' H ' HG22 ' A' ' 65' ' ' VAL . 38.6 mtmm -142.06 154.17 44.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.591 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.3 p -65.82 122.37 17.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.117 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.18 -5.03 30.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.679 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.5 p -112.4 122.07 46.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.788 0.327 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.577 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 2.7 pt? -60.69 155.97 17.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 72' ' ' MET . 22.0 pt -117.18 -43.76 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.313 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.45 ' N ' HG13 ' A' ' 71' ' ' ILE . 89.6 mtp -144.06 166.21 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.806 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.406 HG12 ' HG3' ' B' ' 45' ' ' GLU . 36.8 mt -137.12 129.31 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.986 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -109.81 161.67 15.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.459 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.456 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 0.8 OUTLIER -130.18 92.75 3.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.028 179.415 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.9 p -102.81 117.62 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.186 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -124.04 100.54 6.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 62.56 -122.36 27.82 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.86 146.39 42.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.689 0.28 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . . . -63.5 127.0 90.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 48.5 Cg_exo -56.01 112.84 1.19 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.425 2.083 . . . . 0.0 112.261 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -163.78 -176.49 4.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.009 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.36 -84.52 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.441 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.67 113.03 25.67 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.15 -178.46 3.24 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.394 2.063 . . . . 0.0 112.314 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -154.5 -21.35 0.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -125.83 -27.47 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.98 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -84.92 -28.61 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.687 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.097 179.851 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.8 tpp . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 120.765 0.317 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t 58.24 93.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -70.02 169.88 12.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.003 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.566 ' HG2' HG23 ' B' ' 5' ' ' VAL . 35.0 tt0 -120.94 150.25 41.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.566 HG23 ' HG2' ' B' ' 4' ' ' GLU . 48.8 t 62.14 109.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.418 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -87.38 -63.5 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m -96.33 147.61 33.23 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.91 139.45 90.9 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.443 2.095 . . . . 0.0 112.478 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -116.16 123.39 47.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.694 HD13 ' H ' ' B' ' 10' ' ' ILE . 0.2 OUTLIER -131.97 8.06 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.18 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 44.4 t -110.03 -73.96 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.154 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -74.55 131.39 40.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -101.86 147.43 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.973 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -72.74 148.69 44.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -79.36 152.98 30.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.726 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 44.3 t -60.17 131.53 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.272 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 27.7 ttt -96.57 137.2 36.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.736 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 17.8 t -92.2 137.13 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.142 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' B' ' 23' ' ' LYS . 0.0 OUTLIER -98.52 -23.09 15.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.824 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 29.6 m -93.99 6.31 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.018 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.76 149.31 6.2 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.625 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.94 129.97 38.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -154.15 156.83 37.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.042 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.9 p -129.7 142.12 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -142.67 -3.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.355 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.29 136.04 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -89.58 143.96 26.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.007 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -69.91 -32.17 70.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.699 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 47.5 t -135.9 137.14 41.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.76 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.494 HD12 ' N ' ' B' ' 34' ' ' LEU . 6.0 mp -93.83 -21.92 18.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.752 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.4 mt -73.6 110.26 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 68.7 p -134.89 -51.26 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.034 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 33.5 m -125.29 175.57 7.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -119.63 150.83 39.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -156.93 99.56 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.444 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.03 144.63 30.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 110.774 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? 61.88 91.64 0.06 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.717 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.27 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.456 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 79.0 p -67.52 136.12 54.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.663 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 51.5 tpp -140.72 122.6 15.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.406 ' HG3' HG12 ' A' ' 73' ' ' ILE . 2.6 mp0 -74.46 153.48 39.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.526 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 26.8 m -126.21 137.74 30.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.971 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.577 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 75.8 Cg_endo -101.44 162.73 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.175 2.583 . . . . 0.0 112.643 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.91 130.39 81.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.86 -38.85 21.78 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.352 2.035 . . . . 0.0 112.488 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -149.05 145.83 27.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.811 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.33 157.51 31.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.19 -162.34 35.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 40.1 t -121.7 139.75 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.878 0.371 . . . . 0.0 111.273 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.56 108.47 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.095 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -66.52 -65.25 0.7 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.042 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -160.97 142.56 11.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.28 132.49 54.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.67 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -120.68 -7.36 9.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.19 139.91 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.113 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -91.6 147.56 22.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 39.8 t -65.13 126.84 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.36 -0.92 58.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.364 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -93.07 111.16 22.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.68 0.276 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -52.47 149.57 5.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 p -109.2 164.43 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.21 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -143.48 154.88 44.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.784 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 62.3 p -66.52 120.22 13.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.57 -8.9 24.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.636 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 89.6 p -109.68 124.8 51.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 2.7 pt? -63.75 157.66 23.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.444 HG13 ' N ' ' B' ' 72' ' ' MET . 23.7 pt -118.01 -42.69 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.353 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.444 ' N ' HG13 ' B' ' 71' ' ' ILE . 88.0 mtp -145.91 166.19 26.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.414 HG12 ' HG3' ' A' ' 45' ' ' GLU . 22.6 mt -136.73 134.84 48.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.563 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -115.54 161.27 18.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.955 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.501 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 1.0 OUTLIER -129.9 93.49 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.094 179.635 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.64 117.51 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.266 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -127.67 101.84 6.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.023 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.42 63.24 5.18 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.729 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.79 117.74 10.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.38 145.43 30.6 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.281 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.03 -58.67 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.403 2.069 . . . . 0.0 112.451 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.76 159.99 16.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.88 -6.57 32.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.047 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -130.14 144.15 52.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.037 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -83.16 127.83 4.74 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.577 2.184 . . . . 0.0 112.722 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.15 165.14 12.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -75.35 100.35 4.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.662 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -144.14 -45.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.166 -0.921 . . . . 0.0 110.995 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.2 mmt . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.582 HG22 ' H ' ' A' ' 4' ' ' GLU . 9.9 p -96.27 141.46 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.44 19.27 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.686 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.582 ' H ' HG22 ' A' ' 2' ' ' VAL . 20.4 mm-40 58.62 79.57 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.033 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 m -124.12 -3.38 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.743 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -65.04 -36.69 85.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.772 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.7 t -133.87 130.34 20.55 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -56.71 131.99 49.01 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.476 2.117 . . . . 0.0 112.366 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -100.83 141.22 34.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.8 mm 61.57 104.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.2 t -78.95 102.82 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -146.78 -21.32 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.757 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -60.08 -24.66 30.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.561 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 t -64.35 136.77 57.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.89 0.376 . . . . 0.0 111.18 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -136.28 -12.73 1.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.776 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.6 m -55.56 150.84 2.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.404 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.15 169.42 11.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -165.93 -32.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.048 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 1.0 OUTLIER 59.91 104.3 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.392 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -93.11 119.03 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.982 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.35 -143.73 39.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.422 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -96.21 116.07 28.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.359 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -141.61 150.14 41.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.0 m -80.8 119.59 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.274 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -167.73 -64.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.005 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.34 131.14 17.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.001 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -161.35 122.43 2.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 59.55 102.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.392 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.4 m -104.91 155.27 19.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.605 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 34' ' ' LEU . 7.8 mp -82.29 101.91 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.064 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.7 mt -125.34 111.08 26.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 t -117.95 -17.22 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.271 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.5 t -94.14 113.4 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -116.04 -10.92 11.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.85 165.69 11.9 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.448 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.58 131.82 51.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.85 0.357 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -167.49 28.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.305 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.18 142.38 28.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.964 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.3 p -143.74 146.37 33.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.595 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 87.6 mtp -131.16 119.51 22.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.109 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.558 ' HB3' HD23 ' B' ' 70' ' ' LEU . 29.9 mt-10 -69.19 146.44 52.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.691 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.3 m -123.49 140.22 33.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.296 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.565 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 69.8 Cg_endo -102.08 166.87 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.307 2.671 . . . . 0.0 112.611 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.38 150.37 57.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.09 -43.81 0.68 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.487 2.124 . . . . 0.0 112.932 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.504 ' HA ' HG22 ' B' ' 67' ' ' THR . 37.5 p90 -150.05 158.55 44.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.794 0.331 . . . . 0.0 111.126 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.6 156.98 21.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.754 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.84 -170.92 43.98 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.945 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -128.08 124.86 63.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.7 0.286 . . . . 0.0 110.736 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -74.25 103.08 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -123.52 -6.47 8.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.215 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -163.33 110.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.893 0.378 . . . . 0.0 111.258 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 pp -95.67 172.06 8.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.776 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -128.03 -18.81 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.298 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.1 m -125.45 142.25 42.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.831 0.348 . . . . 0.0 111.604 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -99.66 151.19 21.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.3 t -53.69 126.28 9.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.313 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.36 14.03 39.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.398 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -109.05 115.23 29.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.959 0.409 . . . . 0.0 111.043 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -50.52 156.59 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.341 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 p -120.5 157.52 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -140.7 149.46 42.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.475 HG22 ' HA ' ' B' ' 50' ' ' PHE . 41.5 p -58.48 119.64 7.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.175 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.71 2.9 52.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.588 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 65.1 m -103.41 145.78 29.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.757 0.313 . . . . 0.0 110.78 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.57 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 8.5 mp -81.8 171.56 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.59 HG13 ' H ' ' A' ' 72' ' ' MET . 10.0 pt -132.1 -55.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.476 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.59 ' H ' HG13 ' A' ' 71' ' ' ILE . 66.3 mtt -146.96 174.59 11.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.875 0.369 . . . . 0.0 111.21 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.439 HG12 ' HG2' ' B' ' 45' ' ' GLU . 35.7 mt -130.98 129.74 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -106.13 141.53 37.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.624 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -90.36 93.84 9.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.635 178.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 p -113.15 118.19 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.271 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.409 ' HA ' ' HB3' ' B' ' 42' ' ' ALA . 12.5 pt-20 -54.0 143.53 21.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.098 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.64 25.05 13.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.295 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.77 153.48 22.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.25 155.02 81.33 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.04 108.66 0.69 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.485 2.123 . . . . 0.0 112.162 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -154.2 -8.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.95 12.05 1.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.276 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.13 148.61 84.33 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.056 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.37 129.14 33.17 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.48 2.12 . . . . 0.0 112.294 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -162.03 -1.79 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -88.02 122.19 31.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 59.21 -173.06 0.11 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.264 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.954 -179.926 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -102.78 106.55 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.45 ' HD3' ' N ' ' B' ' 3' ' ' LYS . 0.0 OUTLIER -103.7 120.09 40.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.564 179.708 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 59.23 -167.82 0.16 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 22.6 m -83.58 136.62 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.359 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -172.33 -175.51 1.41 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.674 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.52 152.05 77.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.67 140.69 84.4 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.552 2.168 . . . . 0.0 112.295 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -98.75 8.43 44.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 37.8 pt -78.31 146.02 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 31.3 m -91.48 159.25 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.03 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -145.45 109.43 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.8 t -119.82 137.79 52.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.034 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 59.5 p -77.07 164.12 26.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.342 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.14 169.46 16.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 14.5 p -84.68 -18.3 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 52.4 ttm -60.84 114.5 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 64.1 t 60.15 101.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.28 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -85.22 -172.45 4.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.77 -35.16 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.996 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.1 179.87 20.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -110.58 97.24 6.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.729 0.3 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -130.38 95.71 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.807 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.1 p -159.5 -29.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.34 157.95 22.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.23 -162.98 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -89.46 4.89 47.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 57.1 -170.87 0.09 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 38.9 t -116.54 172.14 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.0 tp -136.65 122.55 20.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.977 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 72.7 mt -86.35 115.86 28.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.014 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 91.7 m -117.85 127.32 53.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.1 t -108.99 95.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -128.71 153.42 47.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -116.44 -155.39 10.43 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.52 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -158.17 114.97 2.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.768 0.318 . . . . 0.0 110.923 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' B' ' 41' ' ' LYS . 10.9 mptt -114.79 -61.37 1.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.764 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 77' ' ' GLU . . . 67.4 123.43 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.559 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 87.8 p -139.67 140.16 36.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.651 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 88.2 mtp -122.42 123.42 41.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.555 ' HB3' HD23 ' A' ' 70' ' ' LEU . 35.9 mt-10 -72.48 146.52 46.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 26.8 m -122.9 139.64 31.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.414 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.57 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 91.7 Cg_endo -101.77 169.98 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.201 2.6 . . . . 0.0 112.537 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.47 149.03 48.18 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.42 -43.86 0.91 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.432 2.088 . . . . 0.0 112.65 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.475 ' HA ' HG22 ' A' ' 67' ' ' THR . 39.3 p90 -150.19 161.79 41.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.885 0.374 . . . . 0.0 111.115 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.92 156.46 39.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.28 -163.76 35.37 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.323 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -129.0 132.26 67.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 111.457 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.9 t -79.74 103.72 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.831 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -125.37 -6.15 7.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.359 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -162.68 111.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 111.119 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.71 171.49 8.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -127.5 -18.5 4.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.39 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.69 142.72 41.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.885 0.374 . . . . 0.0 111.493 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -100.15 151.31 21.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.656 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -54.26 126.84 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.68 9.41 49.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -104.45 120.3 40.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.793 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -55.94 156.11 5.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.075 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.81 159.49 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.784 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -143.97 149.61 37.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 50' ' ' PHE . 67.3 p -58.5 120.18 8.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.265 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.04 1.21 51.63 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.8 m -102.62 145.51 29.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.565 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 8.1 mp -82.12 170.33 15.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.558 HG13 ' H ' ' B' ' 72' ' ' MET . 11.1 pt -131.36 -54.34 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.717 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.558 ' H ' HG13 ' B' ' 71' ' ' ILE . 67.3 mtt -148.26 174.02 12.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.959 0.409 . . . . 0.0 111.091 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 36.3 mt -129.33 136.07 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.359 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -113.44 137.89 50.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.767 0.318 . . . . 0.0 111.188 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -86.83 92.34 8.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.939 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 p -110.43 120.08 60.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.188 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.45 143.04 36.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.783 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.05 116.0 5.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.625 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.25 154.23 18.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.719 0.295 . . . . 0.0 110.945 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.65 145.01 97.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.143 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.64 -37.57 5.23 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.46 2.107 . . . . 0.0 112.254 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -140.0 -14.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 58.25 28.66 16.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.546 ' H ' ' HD2' ' B' ' 85' ' ' PRO . . . -96.13 -51.0 0.23 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.706 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' PRO . . . . . 0.546 ' HD2' ' H ' ' B' ' 84' ' ' ALA . 59.4 Cg_endo -71.93 -32.14 11.64 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.109 1.873 . . . . 0.0 112.204 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.52 -60.82 1.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.833 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 60.5 tttp 63.04 165.63 0.12 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.012 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -64.61 -13.19 52.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.391 -0.814 . . . . 0.0 110.801 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mmm . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.8 m -95.23 8.07 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.303 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -83.87 -23.46 31.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.092 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -126.44 112.47 15.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -106.5 -175.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -63.9 -62.44 1.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.986 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -75.34 131.26 78.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.72 133.98 14.59 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.348 2.032 . . . . 0.0 112.316 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -154.57 -14.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mm 60.84 102.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.64 130.64 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.168 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -87.82 141.35 28.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.506 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.1 m -120.3 167.56 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.276 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.545 HG22 ' H ' ' A' ' 20' ' ' VAL . 32.9 m -148.81 -88.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 51.66 23.47 1.97 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.695 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.545 ' H ' HG22 ' A' ' 18' ' ' THR . 8.3 p -104.66 -25.07 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.77 0.319 . . . . 0.0 111.2 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -122.16 -17.42 7.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.218 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.7 p -164.53 144.73 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -138.5 -66.79 0.48 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.799 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.56 -31.07 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -120.18 165.71 13.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.44 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -84.63 159.2 20.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.311 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -155.07 138.23 15.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.658 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.7 p -99.34 145.13 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.81 153.01 36.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.072 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.39 178.26 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -106.96 139.66 41.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -139.03 173.84 11.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.1 t -102.19 161.38 13.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.8 mt -135.5 -12.54 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.1 mt 60.88 102.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.34 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.597 HG23 ' H ' ' A' ' 38' ' ' GLU . 8.6 t -137.4 174.31 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.963 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.62 5.07 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.299 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.597 ' H ' HG23 ' A' ' 36' ' ' THR . 9.9 mm-40 60.67 -88.47 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.306 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -139.13 25.64 2.76 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.787 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -87.88 152.76 21.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 111.0 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -64.25 165.78 8.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.426 ' HA ' HG13 ' B' ' 76' ' ' VAL . . . -69.55 -90.8 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.982 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.616 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 80.2 p -58.06 116.48 3.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.998 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 54.7 ttp -132.55 119.46 20.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.459 ' HB2' HD12 ' B' ' 70' ' ' LEU . 11.4 pt-20 -77.98 131.45 37.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.635 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 27.4 m -110.42 146.98 35.42 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.244 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 60.6 Cg_endo -101.55 165.85 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.28 2.653 . . . . 0.0 112.376 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.24 142.37 89.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.415 ' HG3' HG11 ' B' ' 46' ' ' VAL . 41.9 Cg_endo -67.19 -44.53 4.84 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.554 2.17 . . . . 0.0 112.509 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -149.89 151.97 34.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.013 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.76 136.99 57.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.289 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.564 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -166.16 -174.59 35.73 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.112 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.515 HG22 ' HG3' ' B' ' 64' ' ' LYS . 36.9 t -128.63 143.47 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.654 0.264 . . . . 0.0 110.465 179.447 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.571 HG11 ' H ' ' B' ' 62' ' ' GLY . 94.1 t -71.62 110.64 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -99.39 -41.87 7.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -148.08 132.88 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.148 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.2 tp -85.04 142.38 29.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.973 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -134.01 1.77 3.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.279 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.7 m -139.11 142.78 32.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.928 0.394 . . . . 0.0 111.328 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -103.12 151.26 22.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.785 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.2 125.26 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.847 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.621 ' H ' HG11 ' B' ' 54' ' ' VAL . . . 90.35 8.09 66.64 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.125 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -98.37 113.66 25.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 111.114 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.529 ' HG3' HG22 ' B' ' 53' ' ' VAL . 88.2 tttt -45.21 141.17 2.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.385 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 66' ' ' LYS . 9.5 p -109.52 162.59 7.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.941 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' N ' HG22 ' A' ' 65' ' ' VAL . 68.7 mttm -143.1 148.41 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.851 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.8 m -62.69 120.59 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.11 -14.36 31.16 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.444 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.1 t -86.34 148.1 25.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' B' ' 45' ' ' GLU . 3.6 mm? -75.28 133.6 41.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.797 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.557 HG13 ' H ' ' A' ' 72' ' ' MET . 13.5 pt -108.11 -52.8 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.426 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.557 ' H ' HG13 ' A' ' 71' ' ' ILE . 26.1 mmt -148.65 156.76 42.83 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.3 mp -131.83 129.65 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.378 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.564 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 23.4 m-85 -121.28 139.31 53.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.536 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.614 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 38.6 tt0 -103.09 92.39 4.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.935 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 p -82.88 117.63 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.375 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -90.48 128.85 36.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.453 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.25 -36.93 90.92 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.863 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.22 146.7 52.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.93 0.395 . . . . 0.0 111.335 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.16 151.08 75.29 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.092 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.8 -16.63 29.62 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.312 2.008 . . . . 0.0 112.216 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 57.6 -166.27 0.15 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.175 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.52 -35.81 81.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 56.56 86.27 0.17 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.299 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -57.24 131.58 45.86 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.616 2.211 . . . . 0.0 112.254 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.74 -10.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -160.17 98.9 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 59.12 108.53 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.503 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.843 179.935 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.66 0.267 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 40.4 t 60.18 99.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.299 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -154.24 157.06 38.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.777 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.95 173.2 0.81 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.03 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 29.4 t -66.02 107.79 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.937 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -144.53 141.12 29.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.702 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 34.0 m -62.63 149.69 88.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.337 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.93 151.44 45.25 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.415 2.076 . . . . 0.0 112.178 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -165.87 127.42 1.9 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.062 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.477 ' N ' HD12 ' B' ' 10' ' ' ILE . 3.8 mp 58.18 100.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.235 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.8 p -165.74 -25.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -84.16 -18.52 36.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -115.6 152.33 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.0 t -162.63 -38.05 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.407 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 58.86 95.89 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.259 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -102.68 140.48 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 27.7 ttt 61.3 -83.5 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.15 141.15 18.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.758 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -149.25 -61.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.686 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t 59.57 92.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.192 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.42 33.67 5.15 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.251 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -83.5 134.44 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 110.82 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -127.13 -20.83 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.771 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 28.6 m -93.27 138.8 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.85 179.82 5.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.58 -34.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.49 170.58 8.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.89 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -78.35 128.89 34.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 47.8 t -71.71 162.51 29.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.013 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.418 ' N ' HD12 ' B' ' 34' ' ' LEU . 6.6 mp -90.14 9.19 29.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.748 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.1 mt -92.6 -65.7 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 63.2 m -67.25 138.87 57.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 14.3 t -104.2 -57.39 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.24 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -122.6 139.36 54.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.081 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.16 -64.61 0.6 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.448 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -126.94 141.99 51.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.644 0.259 . . . . 0.0 110.662 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -140.25 -53.44 0.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.223 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . 62.89 -85.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.614 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 80.7 p -61.11 117.35 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.364 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 57.3 ttp -129.9 119.97 24.13 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.981 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.445 ' HB2' HD12 ' A' ' 70' ' ' LEU . 10.4 pt-20 -78.17 133.24 37.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.793 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.415 HG11 ' HG3' ' A' ' 49' ' ' PRO . 20.6 m -111.12 145.91 33.44 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.323 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -101.6 166.14 0.33 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.159 2.572 . . . . 0.0 112.275 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.72 142.68 88.73 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.421 ' HG3' HG11 ' A' ' 46' ' ' VAL . 39.7 Cg_endo -67.15 -45.43 3.91 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.389 2.06 . . . . 0.0 112.551 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -149.19 156.15 41.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.21 136.99 56.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.569 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . -169.12 -168.91 31.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.525 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.529 HG22 ' HG3' ' A' ' 64' ' ' LYS . 24.2 t -129.7 146.57 33.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 111.467 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.621 HG11 ' H ' ' A' ' 62' ' ' GLY . 70.6 t -71.66 112.68 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -103.11 -39.68 6.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.064 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -149.48 134.18 17.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 57.0 tp -86.9 141.59 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.737 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -133.27 1.99 3.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.29 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 31.5 m -139.11 142.28 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 111.406 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -103.1 149.64 24.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.763 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 42.2 t -65.38 125.86 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLY . . . . . 0.571 ' H ' HG11 ' A' ' 54' ' ' VAL . . . 91.98 3.1 68.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.077 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.24 121.01 34.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.31 . . . . 0.0 110.79 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.515 ' HG3' HG22 ' A' ' 53' ' ' VAL . 88.1 tttt -52.79 141.99 19.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.061 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.433 HG11 ' CZ ' ' A' ' 74' ' ' PHE . 5.6 p -108.74 162.04 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.07 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -144.16 150.72 38.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.905 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.3 m -64.54 121.03 13.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.78 -14.59 31.97 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.567 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 41.8 t -85.82 148.56 25.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.459 HD12 ' HB2' ' A' ' 45' ' ' GLU . 3.5 mm? -76.2 134.43 39.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.546 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.545 HG13 ' H ' ' B' ' 72' ' ' MET . 14.2 pt -109.12 -52.63 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.484 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.545 ' H ' HG13 ' B' ' 71' ' ' ILE . 25.4 mmt -149.12 155.58 40.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.899 0.38 . . . . 0.0 111.124 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.436 ' N ' HD12 ' B' ' 73' ' ' ILE . 4.2 mp -129.39 133.33 65.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.061 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.569 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 24.2 m-85 -125.09 135.56 52.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.609 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.616 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 33.1 tt0 -99.94 92.65 5.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.31 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.426 HG13 ' HA ' ' A' ' 42' ' ' ALA . 1.6 p -81.96 117.74 28.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.279 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -93.63 139.83 30.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.785 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 131.65 10.11 2.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.582 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.11 132.66 48.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.85 0.357 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.76 154.27 70.61 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.87 166.26 8.81 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.404 2.07 . . . . 0.0 112.151 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -127.79 147.9 50.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.23 144.28 26.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.487 ' HB3' ' HD3' ' B' ' 85' ' ' PRO . . . -68.18 -50.91 28.05 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' PRO . . . . . 0.487 ' HD3' ' HB3' ' B' ' 84' ' ' ALA . 86.8 Cg_endo -77.84 157.94 31.3 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.173 1.916 . . . . 0.0 112.333 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -154.14 173.78 15.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -100.25 152.84 19.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 58.02 95.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.147 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.938 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.785 0.326 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 66.2 t -124.26 133.93 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -98.45 128.72 44.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.704 179.771 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -85.83 120.33 27.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.032 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.2 t 65.49 138.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.411 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -70.18 124.29 23.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.804 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.67 131.6 84.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.66 142.74 44.68 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.389 2.059 . . . . 0.0 112.127 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -74.08 -38.37 63.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.197 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.2 mt 60.06 99.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -112.3 -12.83 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.089 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.97 -37.08 71.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -140.98 158.17 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 0.0 111.359 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.5 m -134.7 109.11 8.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.78 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -107.96 142.0 38.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.75 137.09 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.758 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.0 ptt? -117.79 -11.81 10.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.177 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.5 t -96.95 110.17 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.065 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -98.06 157.26 16.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.4 m -77.09 -11.39 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.014 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.1 75.04 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.277 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -119.03 122.66 42.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.996 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -99.84 -177.02 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.73 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 43.3 t -83.45 99.4 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.83 117.21 20.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.51 -31.52 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.46 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -77.52 178.98 6.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -100.42 -65.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.6 m -78.97 138.36 38.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.8 mt -102.55 -59.13 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.061 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.6 pt -89.75 128.14 41.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.336 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 p -141.48 -177.58 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.838 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 p -127.22 123.9 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.013 0.435 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -133.41 111.81 11.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.858 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.9 -36.67 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -105.59 114.49 28.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.763 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.81 -165.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.816 -179.877 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.5 ' HB1' HG22 ' B' ' 76' ' ' VAL . . . -94.52 -64.46 1.07 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.351 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.618 ' HB3' ' HG3' ' B' ' 75' ' ' GLU . 82.3 p -57.97 137.49 56.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.538 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 94.9 mmm -148.29 123.7 10.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.87 0.367 . . . . 0.0 111.312 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.2 150.45 42.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.528 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.45 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 27.3 m -127.49 138.89 33.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.204 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 87.5 Cg_endo -101.84 168.8 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.314 2.676 . . . . 0.0 112.453 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.91 134.1 68.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -68.04 -44.53 3.76 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.318 2.012 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -145.29 142.58 29.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.72 141.63 37.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.579 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.16 -162.12 15.59 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.945 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 61.7 t -134.9 137.14 51.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.743 0.306 . . . . 0.0 110.501 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.69 106.13 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.016 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.93 -56.61 3.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.85 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -155.8 112.34 3.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.459 HD13 HG21 ' B' ' 61' ' ' VAL . 2.1 pt? -57.42 151.7 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -111.34 -22.6 11.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.91 144.27 35.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -97.72 145.99 25.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.455 HG21 HD13 ' B' ' 57' ' ' LEU . 41.1 t -62.33 127.74 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.99 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.28 -4.8 31.53 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.633 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -107.46 117.69 34.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.753 0.311 . . . . 0.0 111.085 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -51.19 153.97 1.8 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.8 p -111.1 161.67 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.204 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -141.68 139.41 32.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.659 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.4 m -58.25 126.19 26.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.7 -15.83 23.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.369 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -96.1 164.09 12.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 70' ' ' LEU . 7.5 mp -89.6 154.56 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.754 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.501 HG13 ' N ' ' A' ' 72' ' ' MET . 16.7 pt -122.76 -51.32 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.28 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.501 ' N ' HG13 ' A' ' 71' ' ' ILE . 72.0 mtm -150.8 163.22 39.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.888 0.375 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.1 mt -136.41 129.13 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.417 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -107.8 161.14 15.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.103 0.477 . . . . 0.0 111.597 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.48 ' HG3' ' HB3' ' B' ' 43' ' ' SER . 34.3 tt0 -135.6 92.28 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.741 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.458 ' O ' ' HB1' ' B' ' 42' ' ' ALA . 5.3 m -81.62 159.23 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.197 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -127.24 25.6 6.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.003 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.17 75.25 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.584 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.41 127.79 56.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.791 0.329 . . . . 0.0 110.98 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.1 150.35 87.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.986 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -68.78 -48.08 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.309 2.006 . . . . 0.0 112.159 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 58.66 -172.69 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.38 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.48 -3.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -135.21 93.61 16.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -52.23 -46.05 35.29 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.565 2.176 . . . . 0.0 112.49 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 62.67 -80.95 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.4 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm 61.75 -177.12 0.12 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.062 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -92.09 169.39 10.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.747 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.911 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttm . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 p -95.83 148.24 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.22 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? 62.34 109.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.249 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -95.79 162.06 13.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.2 t -98.2 112.46 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -168.24 90.6 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.174 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 36.4 t -70.1 126.55 92.45 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.03 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.34 163.99 35.09 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.269 1.979 . . . . 0.0 112.258 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.52 122.61 26.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 36.1 pt -65.47 170.11 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.247 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 36.0 m -131.16 -6.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.421 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.29 129.67 34.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.041 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.7 p -169.52 140.67 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.0 p -136.87 141.55 42.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -125.78 -47.17 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 41.7 t -132.45 133.49 59.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 96.3 mmm -111.48 108.07 17.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -107.54 -46.05 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -102.43 125.77 49.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 48.1 t -127.43 -67.95 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.39 78.34 0.24 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.287 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -119.47 141.97 48.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 111.051 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -87.19 154.66 20.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.44 138.39 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 62.4 103.22 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.31 170.72 7.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.999 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -148.95 118.76 7.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -133.8 -67.9 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.724 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 56.4 m 63.01 117.68 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.293 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 71.1 mt -59.18 159.79 7.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.475 ' N ' HD12 ' B' ' 35' ' ' ILE . 4.0 mp -78.83 120.59 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.988 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 26.9 m 63.65 115.25 0.02 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.381 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -114.04 151.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.008 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -62.48 141.05 58.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.03 -37.29 22.49 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.427 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.8 148.38 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -116.78 -20.42 9.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -92.05 -69.99 0.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.169 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.48 ' HB3' ' HG3' ' A' ' 75' ' ' GLU . 78.2 p -60.27 133.52 56.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.768 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 95.1 mmm -143.65 128.1 17.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.277 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.94 150.49 34.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.622 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.471 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.8 m -126.75 138.62 32.92 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.436 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 68.6 Cg_endo -101.66 171.6 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.225 2.616 . . . . 0.0 112.179 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.47 134.66 57.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.816 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.87 -42.95 3.9 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.375 2.05 . . . . 0.0 112.558 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -147.0 143.65 28.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.74 140.24 56.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.69 -157.57 10.08 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.651 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.3 t -135.73 139.0 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 111.006 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.2 t -72.47 106.0 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.045 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.75 -58.23 2.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -154.33 113.43 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.717 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.455 HD13 HG21 ' A' ' 61' ' ' VAL . 2.1 pt? -58.17 151.62 18.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -110.8 -23.12 11.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.81 143.45 38.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.195 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -96.74 146.96 24.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.756 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.459 HG21 HD13 ' A' ' 57' ' ' LEU . 44.1 t -63.68 127.64 24.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.062 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.77 -5.09 30.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -106.86 119.08 38.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.755 0.312 . . . . 0.0 110.763 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 24.7 pttm -52.31 153.92 2.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.07 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 p -109.81 163.07 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.095 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -144.27 139.01 28.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.707 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 28.6 m -57.87 127.3 31.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.84 -14.94 29.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.585 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.4 m -96.81 165.28 12.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.43 ' N ' HD12 ' B' ' 70' ' ' LEU . 7.6 mp -91.52 153.02 20.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.492 HG13 ' N ' ' B' ' 72' ' ' MET . 16.6 pt -121.48 -51.4 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.309 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.492 ' N ' HG13 ' B' ' 71' ' ' ILE . 73.5 mtm -151.17 163.27 39.22 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.008 0.432 . . . . 0.0 111.156 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.8 mt -135.7 133.79 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.182 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -113.36 160.23 18.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.823 0.344 . . . . 0.0 111.241 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.618 ' HG3' ' HB3' ' A' ' 43' ' ' SER . 25.7 tt0 -134.16 92.52 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.001 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.5 HG22 ' HB1' ' A' ' 42' ' ' ALA . 1.7 m -80.56 159.2 4.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -128.67 7.44 5.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.812 0.339 . . . . 0.0 110.986 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.12 40.46 97.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.568 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.7 117.95 12.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.94 144.69 55.63 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.06 -66.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.497 2.132 . . . . 0.0 112.319 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . 57.5 -174.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.318 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.03 120.39 28.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . 57.32 87.11 0.15 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.073 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.72 172.77 11.99 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.478 2.119 . . . . 0.0 112.293 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -146.06 134.92 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.297 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -94.46 5.95 50.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -93.53 -36.27 12.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.766 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.777 179.893 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.84 0.353 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.2 t -83.7 138.85 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.987 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -144.6 9.05 1.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.893 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -92.26 15.38 13.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.5 t -97.58 119.47 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -159.49 1.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.039 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 m -118.93 153.57 52.72 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.5 133.42 51.83 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.597 2.198 . . . . 0.0 112.234 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -119.03 96.34 5.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.562 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -81.56 152.27 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.105 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.1 m -95.27 20.04 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 64.64 121.57 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.186 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.16 132.3 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.5 p -134.56 -9.68 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 57.76 89.9 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.964 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.4 m -85.64 -12.29 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 58.0 ttp -133.61 107.19 7.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.5 m -112.37 149.17 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.221 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -83.91 -70.87 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t 64.62 146.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.282 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 175.21 -105.86 0.21 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.609 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.598 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 5.7 m-20 -129.85 138.54 51.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.695 0.283 . . . . 0.0 111.012 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -104.3 98.57 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 28' ' ' VAL . 3.4 t 57.56 22.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.598 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -98.42 165.47 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.262 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 61.71 10.18 3.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.377 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -137.9 100.49 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.793 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -167.27 31.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.474 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.4 p 50.68 90.77 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.259 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 34' ' ' LEU . 6.9 mp -96.26 17.35 16.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.127 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.9 pt -60.93 140.58 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.064 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.1 p -135.87 146.98 48.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.332 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.535 HG12 ' HG2' ' A' ' 38' ' ' GLU . 53.0 t -99.41 -74.44 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.834 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.535 ' HG2' HG12 ' A' ' 37' ' ' VAL . 36.7 mm-40 -136.0 -62.5 0.68 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.783 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.99 -83.48 0.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.556 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.11 153.11 43.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.727 0.298 . . . . 0.0 111.068 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt 64.32 112.95 0.03 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.204 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -126.9 -22.02 3.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.054 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.493 ' HB3' ' HA ' ' B' ' 75' ' ' GLU . 83.1 p -57.66 146.7 29.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.969 179.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.7 ttm -156.12 128.08 7.44 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.953 0.406 . . . . 0.0 111.321 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -77.65 120.58 22.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.682 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.423 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 34.7 m -87.73 138.9 31.27 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.051 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.495 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 69.5 Cg_endo -101.87 173.64 0.25 Allowed 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.257 2.638 . . . . 0.0 112.443 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.64 129.04 56.43 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.58 -39.94 41.24 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.427 2.085 . . . . 0.0 112.46 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -146.62 148.53 32.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.026 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.37 163.15 8.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.22 -159.8 30.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.308 -0.948 . . . . 0.0 113.017 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.9 t -128.19 127.38 67.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.66 0.267 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.8 t -74.14 110.59 8.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -96.32 -53.71 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -160.55 131.44 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.005 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 59' ' ' VAL . 4.2 pp -74.83 -179.93 4.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.878 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -125.64 -20.58 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.811 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.416 ' O ' HD13 ' A' ' 57' ' ' LEU . 30.2 m -126.86 140.01 50.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.181 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -90.99 150.84 21.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.6 t -59.03 121.85 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.23 -16.81 19.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.371 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -91.36 118.51 30.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -52.8 159.47 1.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 66' ' ' LYS . 9.9 p -118.27 159.3 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' N ' HG22 ' A' ' 65' ' ' VAL . 98.0 mttt -139.66 136.79 34.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.5 m -55.11 125.48 20.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.035 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.13 -15.41 20.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.285 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 65.2 m -97.02 169.22 9.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 110.677 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.505 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 3.4 mm? -95.94 158.67 15.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.7 pt -130.07 -29.27 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.351 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 54.0 tpp -159.7 153.63 23.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.1 mp -131.44 129.34 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.615 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -109.75 148.48 31.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 111.853 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.415 ' HA ' ' HB3' ' B' ' 43' ' ' SER . 43.8 tt0 -121.17 92.64 3.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.916 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.9 m -101.19 157.33 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.373 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -124.67 90.97 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.188 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.05 -25.0 65.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.429 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.49 152.48 30.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.048 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.428 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . . . -81.98 125.85 76.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 33.7 Cg_exo -59.92 166.62 8.34 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.377 2.051 . . . . 0.0 112.176 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.59 136.44 53.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.54 -68.79 0.33 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -165.91 99.6 0.74 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.194 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.77 127.02 11.88 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.368 2.045 . . . . 0.0 112.23 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.32 -13.55 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.45 ' NZ ' ' HB2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -75.55 151.39 37.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.795 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -134.38 -34.31 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.722 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.893 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -153.69 -31.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -88.49 108.23 19.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -147.19 -36.42 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -87.06 177.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -61.05 148.27 40.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.23 131.51 94.79 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.83 136.64 33.34 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.266 1.978 . . . . 0.0 112.431 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -104.69 5.92 33.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.738 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 18.6 tt -73.97 -18.64 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -81.06 136.29 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -107.96 -179.39 3.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.795 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 23.8 m -71.32 -27.91 30.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.093 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.521 HG22 ' HG2' ' B' ' 19' ' ' GLU . 28.3 m -143.75 -77.36 0.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.521 ' HG2' HG22 ' B' ' 18' ' ' THR . 12.7 pt-20 -171.5 -38.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.977 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 30.0 m -135.62 149.01 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.181 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 50.5 ttm -108.84 -45.45 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.787 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.8 t -134.18 115.75 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -66.41 159.93 25.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.802 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -118.36 128.31 75.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.11 96.2 2.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.619 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -87.19 105.18 17.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 110.774 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -79.02 138.37 37.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 32.9 m -90.24 -25.24 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.359 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.07 -172.93 0.09 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.304 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.05 -169.52 0.1 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -164.52 110.81 1.02 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.99 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -115.86 89.65 3.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.786 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 33.6 t -171.73 19.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.99 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.42 115.07 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.014 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 75.3 mt -109.16 105.51 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.051 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -147.66 -9.58 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.62 -44.89 98.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.16 -11.87 59.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.35 100.02 0.85 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.405 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -124.92 152.86 43.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.389 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -161.64 19.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.843 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.83 -33.58 70.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.415 ' HB3' ' HA ' ' A' ' 75' ' ' GLU . 80.6 p -58.89 145.19 42.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.481 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 52.1 ttm -153.8 131.5 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.003 0.43 . . . . 0.0 111.254 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -81.0 121.62 26.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.649 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.451 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.5 m -87.89 138.5 31.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.318 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.505 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 63.5 Cg_endo -101.79 175.42 0.23 Allowed 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.301 2.667 . . . . 0.0 112.385 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.88 128.22 56.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.044 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -62.79 -38.68 47.26 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.392 2.061 . . . . 0.0 112.492 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -148.26 150.11 33.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.017 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.74 160.53 27.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.972 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.2 -152.34 14.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.95 132.68 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.9 t -78.52 110.61 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.999 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -96.33 -56.04 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -158.24 133.35 8.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.424 HD13 ' O ' ' B' ' 59' ' ' VAL . 4.3 pp -76.7 179.16 6.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.8 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -124.21 -21.86 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.968 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.424 ' O ' HD13 ' B' ' 57' ' ' LEU . 29.5 m -125.85 139.77 50.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.894 0.378 . . . . 0.0 111.404 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -90.27 151.02 21.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.769 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 51.5 t -59.33 122.05 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.88 -19.92 15.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.421 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.32 122.34 31.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.778 0.323 . . . . 0.0 110.742 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -56.74 159.95 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.021 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.409 HG22 ' N ' ' B' ' 66' ' ' LYS . 7.0 p -117.23 161.75 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.409 ' N ' HG22 ' B' ' 65' ' ' VAL . 98.4 mttt -143.21 138.26 29.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 22.3 m -55.93 125.9 23.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.89 -16.82 20.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.321 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 49.3 m -96.01 168.56 10.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 110.844 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.495 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 3.4 mm? -95.8 159.24 15.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 40.3 pt -131.17 -27.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.366 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 54.2 tpp -163.25 151.73 14.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.025 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.446 ' N ' HD12 ' B' ' 73' ' ' ILE . 3.9 mp -128.41 136.1 60.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.204 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -117.67 142.86 46.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.832 0.348 . . . . 0.0 111.415 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.493 ' HA ' ' HB3' ' A' ' 43' ' ' SER . 41.4 tt0 -115.46 94.55 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.875 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 m -101.98 158.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.811 -178.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -134.6 6.16 3.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.762 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.55 -107.43 2.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.344 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.5 124.74 13.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 111.029 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' B' ' 81' ' ' PRO . . . -75.59 136.48 71.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 80' ' ' ALA . 22.5 Cg_exo -64.95 -4.88 9.64 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.502 2.135 . . . . 0.0 112.294 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.25 -66.69 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.271 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.03 159.68 30.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' B' ' 85' ' ' PRO . . . -150.52 149.99 27.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 84' ' ' ALA . 19.6 Cg_exo -66.01 169.27 13.74 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.567 2.178 . . . . 0.0 112.257 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -129.09 -23.05 3.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.902 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.533 ' HG2' ' HG2' ' B' ' 88' ' ' GLN . 63.4 tttm -148.58 141.02 24.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.644 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' GLN . . . . . 0.533 ' HG2' ' HG2' ' B' ' 87' ' ' LYS . 31.0 mm-40 61.62 13.65 5.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.983 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.823 -179.859 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.3 mmm . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.762 0.315 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.9 t -80.55 137.7 21.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -88.06 110.64 20.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 58.7 -174.59 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.438 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.2 t -107.8 144.09 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.736 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -153.9 13.69 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.123 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 m -64.17 151.88 89.38 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.67 151.01 83.18 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.414 2.076 . . . . 0.0 112.23 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 57.55 -168.92 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.7 pt -124.36 138.4 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.265 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.8 p -158.73 137.45 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -155.52 -1.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.4 t 61.45 102.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.437 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.7 p -100.98 178.9 4.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.976 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -90.15 132.56 35.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.989 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.9 -11.42 12.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 94.4 mmm -87.71 115.96 25.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.0 m -108.57 169.17 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.02 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -84.74 -57.47 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.63 151.45 33.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.074 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.22 131.57 7.25 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -82.76 152.71 25.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 111.078 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' NZ ' ' HB3' ' A' ' 27' ' ' LYS . 3.8 mmmp? -87.36 109.67 19.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 m -83.05 143.49 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.218 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 59.91 98.69 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.267 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.91 -56.77 2.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.976 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -100.64 103.46 14.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.044 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -138.4 -23.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.397 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.5 p -141.27 -46.65 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.827 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mp -96.22 173.99 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.7 mt -127.45 107.27 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.5 m 59.25 99.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.267 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.22 137.04 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.03 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -157.68 -56.43 0.08 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.773 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.89 64.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.616 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -73.59 138.69 45.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.795 0.331 . . . . 0.0 110.73 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.31 169.82 8.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.093 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -154.59 141.18 18.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.517 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.3 m -143.3 146.78 33.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 49.3 tpp -132.47 119.4 20.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.847 0.356 . . . . 0.0 111.099 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.451 ' HG2' HG12 ' B' ' 73' ' ' ILE . 24.3 mt-10 -75.59 151.49 37.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.545 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.7 m -121.05 142.47 34.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.187 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 81.5 Cg_endo -101.68 145.26 0.26 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.232 2.622 . . . . 0.0 112.248 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.79 138.63 97.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.273 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.57 -39.8 8.65 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.435 2.09 . . . . 0.0 112.412 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -147.65 153.66 39.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.503 ' HA ' HG13 ' B' ' 65' ' ' VAL . . . -67.99 156.84 36.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . 168.69 171.47 34.53 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 120.132 -1.032 . . . . 0.0 113.41 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.0 t -97.87 132.07 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.988 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -74.33 127.9 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HD2' ' HB2' ' A' ' 75' ' ' GLU . 57.6 mtpt -103.72 -45.0 4.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.745 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.581 ' HG2' ' H ' ' A' ' 58' ' ' LYS . 34.9 tt0 -144.44 140.19 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 58' ' ' LYS . 2.8 pp -61.89 -33.57 74.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.038 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.582 ' HE3' ' HB2' ' A' ' 70' ' ' LEU . 10.0 tmtt? 74.26 -41.89 0.49 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.686 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.408 ' O ' HD13 ' A' ' 57' ' ' LEU . 35.6 m -132.84 149.01 31.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.827 0.346 . . . . 0.0 111.463 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -87.82 151.34 22.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.535 HG21 HD23 ' B' ' 57' ' ' LEU . 21.3 t -56.48 125.02 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.64 19.4 32.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -104.23 111.42 24.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -48.01 158.5 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.359 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.448 HG13 ' HA ' ' B' ' 51' ' ' ALA . 6.7 p -130.35 160.43 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.999 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -143.29 159.27 42.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.842 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.5 p -61.33 116.81 4.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.25 -1.58 35.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.552 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.2 t -98.33 130.96 44.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.737 0.303 . . . . 0.0 110.808 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.582 ' HB2' ' HE3' ' A' ' 58' ' ' LYS . 3.3 mm? -69.56 159.27 33.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.635 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 72' ' ' MET . 27.2 pt -134.12 -41.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.749 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.431 ' N ' HG13 ' A' ' 71' ' ' ILE . 62.9 mtt -145.09 158.43 43.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.032 0.444 . . . . 0.0 111.294 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.457 HG12 ' HG2' ' B' ' 45' ' ' GLU . 24.6 mt -132.57 122.43 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.163 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.463 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 82.1 m-85 -109.76 139.31 44.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.95 0.405 . . . . 0.0 111.802 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HB2' ' HD2' ' A' ' 55' ' ' LYS . 42.5 tt0 -84.33 92.71 8.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.602 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 p -110.11 117.84 55.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.349 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.519 ' HA ' ' HB3' ' B' ' 42' ' ' ALA . 42.9 tt0 -71.6 100.55 2.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.637 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.17 -147.03 31.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.513 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.67 121.14 11.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.708 0.289 . . . . 0.0 111.086 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . . . -84.53 144.79 43.54 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 32.3 Cg_exo -58.09 128.98 30.86 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.431 2.087 . . . . 0.0 112.057 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -91.17 126.28 36.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.29 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -144.3 113.35 6.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -155.32 82.02 3.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.199 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.6 -3.07 13.36 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.473 2.116 . . . . 0.0 112.425 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.86 -173.46 2.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -126.86 -29.61 2.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -109.09 -1.75 18.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.802 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.0 t -132.47 -57.54 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.013 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -85.86 154.08 21.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.729 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -155.71 150.09 25.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.758 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -77.76 -58.96 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.097 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -60.52 153.91 22.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.45 153.07 72.38 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.188 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -67.89 136.47 38.5 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.547 2.165 . . . . 0.0 112.462 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.8 t70 63.59 164.05 0.12 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.071 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 72.6 mt -104.56 -53.5 7.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.037 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 46.0 t -89.99 100.43 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -114.82 170.73 8.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 p -97.79 143.27 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.086 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 59.5 m -111.28 115.79 29.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 59.56 99.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.95 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -63.77 157.5 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' MET . . . . . 0.447 ' HG3' HG22 ' B' ' 22' ' ' VAL . 23.3 ptt? -102.71 -38.43 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.04 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.447 HG22 ' HG3' ' B' ' 21' ' ' MET . 26.0 m -138.91 141.22 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.393 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -170.72 -43.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.759 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 48.6 t -128.4 127.33 67.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.33 -153.76 6.82 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -97.7 -177.62 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.554 0.216 . . . . 0.0 110.777 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 63.13 -82.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.256 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 42.6 t 61.64 106.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.123 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.4 -49.58 10.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.176 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.14 -169.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.03 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -132.02 112.41 12.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.109 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 57.31 -90.72 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.272 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 53.0 m 61.08 -83.22 0.02 OUTLIER 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.11 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 75.5 mt -124.3 -164.67 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.559 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.554 ' HB ' HG22 ' B' ' 37' ' ' VAL . 14.0 pt -56.84 -25.95 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.044 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 2.7 m 60.1 10.7 2.37 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.552 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.554 HG22 ' HB ' ' B' ' 35' ' ' ILE . 35.6 m -130.38 176.16 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.359 . . . . 0.0 111.076 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -137.53 -52.95 0.66 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.17 159.42 51.73 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -77.09 143.69 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -161.01 83.68 0.66 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 77' ' ' GLU . . . -175.43 121.6 0.2 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.803 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 46.8 m -137.86 145.28 42.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.701 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 47.1 tpp -128.64 119.88 25.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.083 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.457 ' HG2' HG12 ' A' ' 73' ' ' ILE . 31.2 mt-10 -75.25 151.8 38.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.595 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.7 m -122.18 141.77 35.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.249 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 79.2 Cg_endo -101.16 147.74 0.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.082 2.521 . . . . 0.0 112.6 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.49 138.55 97.48 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.34 -38.18 9.1 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.373 2.049 . . . . 0.0 112.556 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -149.37 155.0 39.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.969 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.448 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -73.05 151.66 41.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.993 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.456 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . 172.84 176.08 41.19 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.51 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.4 t -98.19 135.69 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.277 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.2 t -76.77 127.69 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.493 ' HD2' ' HB2' ' B' ' 75' ' ' GLU . 57.3 mtpt -104.8 -44.83 4.74 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.598 ' HG2' ' H ' ' B' ' 58' ' ' LYS . 34.3 tt0 -144.59 141.41 29.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.057 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.535 HD23 HG21 ' A' ' 61' ' ' VAL . 2.3 pp -63.08 -33.33 75.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' LYS . . . . . 0.598 ' H ' ' HG2' ' B' ' 56' ' ' GLU . 9.8 tmtt? 74.02 -41.6 0.49 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.471 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.1 m -132.68 149.28 31.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 111.5 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -88.14 151.59 22.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.537 HG21 HD23 ' A' ' 57' ' ' LEU . 21.1 t -57.61 124.3 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.221 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.95 16.15 36.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -101.36 117.16 34.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.7 0.286 . . . . 0.0 110.729 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -53.07 160.96 0.9 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.503 HG13 ' HA ' ' A' ' 51' ' ' ALA . 4.4 p -131.68 159.76 42.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.99 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -144.66 159.59 42.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.087 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 74.5 p -61.09 117.68 5.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.191 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.28 -2.14 37.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.559 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 41.3 t -98.39 130.47 45.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.827 0.346 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.583 ' HB2' ' HE3' ' B' ' 58' ' ' LYS . 3.3 mm? -69.27 159.37 33.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.586 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.4 HG13 ' N ' ' B' ' 72' ' ' MET . 29.1 pt -134.52 -39.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.667 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.4 ' N ' HG13 ' B' ' 71' ' ' ILE . 63.0 mtt -147.07 158.19 43.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.015 0.436 . . . . 0.0 111.499 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.451 HG12 ' HG2' ' A' ' 45' ' ' GLU . 17.1 mt -132.01 124.91 53.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.843 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.456 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 66.2 m-85 -112.55 136.34 52.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 111.489 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.493 ' HB2' ' HD2' ' B' ' 55' ' ' LYS . 40.3 tt0 -80.95 92.13 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.879 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.5 p -107.85 120.32 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.243 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -73.94 111.71 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -177.33 -110.52 0.27 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.555 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.5 122.64 26.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.98 144.58 98.86 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -62.83 118.36 5.26 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.476 2.118 . . . . 0.0 112.357 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.06 -7.66 55.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.03 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.45 123.7 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.191 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.85 153.03 38.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.147 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.01 -14.73 35.66 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.596 2.197 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.13 115.31 14.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.073 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -119.87 -56.85 2.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.75 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -95.72 150.61 20.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.423 -0.799 . . . . 0.0 111.042 -179.856 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 84.4 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.624 0.249 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.3 ttp -152.46 120.43 6.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.88 0.372 . . . . 0.0 111.174 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.553 ' HB3' HD23 ' B' ' 70' ' ' LEU . 26.3 mt-10 -68.81 152.01 45.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.834 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.54 143.45 48.38 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.185 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 65.7 Cg_endo -101.93 165.32 0.32 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.22 2.613 . . . . 0.0 112.491 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.03 143.46 61.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.071 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.74 -43.1 2.87 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.518 2.145 . . . . 0.0 112.566 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -149.37 158.41 44.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.0 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.86 140.25 57.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.409 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.02 -165.97 23.21 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.059 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.472 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 61.8 t -134.28 131.45 55.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.727 0.299 . . . . 0.0 110.465 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.519 HG11 ' HA ' ' B' ' 61' ' ' VAL . 90.6 t -71.49 100.64 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.812 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -93.13 -40.51 10.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -149.71 127.02 11.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.899 0.38 . . . . 0.0 111.319 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.4 tp -83.34 150.17 26.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.58 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -113.96 -37.05 4.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.468 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.7 m -118.4 139.95 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.898 0.38 . . . . 0.0 111.306 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.555 ' N ' HD22 ' A' ' 60' ' ' ASN . 0.9 OUTLIER -100.88 151.51 21.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.025 -179.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.487 ' HA ' HG11 ' B' ' 54' ' ' VAL . 60.8 t -52.34 135.12 13.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.057 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.54 -11.42 61.33 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.351 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -95.99 106.61 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.734 0.302 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' B' ' 53' ' ' VAL . 19.2 ptpt -51.92 151.71 3.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.407 HG22 ' N ' ' A' ' 66' ' ' LYS . 8.0 p -109.17 163.03 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.938 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.407 ' N ' HG22 ' A' ' 65' ' ' VAL . 67.7 mttm -138.28 147.82 44.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.874 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.3 m -66.74 122.92 18.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.092 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.41 -15.53 22.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.615 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.0 p -96.1 175.66 6.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' B' ' 45' ' ' GLU . 5.0 mp -100.63 168.76 9.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.645 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.461 HG13 ' H ' ' A' ' 72' ' ' MET . 12.8 pt -133.3 -50.35 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.673 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.461 ' H ' HG13 ' A' ' 71' ' ' ILE . 72.9 mtm -148.35 168.68 21.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.834 0.35 . . . . 0.0 111.041 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.1 mt -135.49 129.31 49.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -109.27 161.07 15.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.368 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 1.0 OUTLIER -133.56 92.58 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.008 179.243 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.231 -179.689 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 79.2 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.722 0.296 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 57.4 ttp -143.11 124.99 15.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.531 ' HB3' HD23 ' A' ' 70' ' ' LEU . 32.3 mt-10 -71.89 152.34 42.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.642 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 34.8 m -128.67 142.54 45.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.378 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.511 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 93.6 Cg_endo -101.35 168.18 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.253 2.635 . . . . 0.0 112.416 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.32 142.96 51.24 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.41 -43.9 2.65 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.324 2.016 . . . . 0.0 112.382 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -148.74 161.23 42.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.35 137.72 44.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -164.66 -161.21 13.22 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 57.0 t -134.38 133.76 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.729 0.299 . . . . 0.0 111.043 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.487 HG11 ' HA ' ' A' ' 61' ' ' VAL . 95.7 t -72.01 101.24 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.819 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -94.23 -39.0 10.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.389 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -151.61 126.53 9.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 111.3 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 57.4 tp -82.61 151.31 26.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.526 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . 0.437 ' HE2' ' HB2' ' B' ' 70' ' ' LEU . 64.2 tttp -115.22 -36.68 4.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.435 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.4 m -118.64 139.5 45.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.859 0.361 . . . . 0.0 111.266 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.534 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.9 OUTLIER -100.45 151.48 21.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.015 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.519 ' HA ' HG11 ' A' ' 54' ' ' VAL . 62.1 t -52.82 136.34 13.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.016 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.2 -13.99 61.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.205 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.98 110.45 22.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.311 . . . . 0.0 110.673 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 19.1 ptpt -55.55 152.78 8.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.269 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.432 HG22 ' H ' ' B' ' 66' ' ' LYS . 4.3 p -108.31 166.07 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.799 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.432 ' H ' HG22 ' B' ' 65' ' ' VAL . 67.8 mttm -142.87 147.99 36.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.954 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.3 m -67.03 122.96 18.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.89 -18.21 19.49 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.468 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 91.6 p -93.89 174.92 6.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.99 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.553 HD23 ' HB3' ' A' ' 45' ' ' GLU . 4.9 mp -100.66 168.85 9.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.553 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.474 HG13 ' H ' ' B' ' 72' ' ' MET . 13.7 pt -133.37 -50.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.644 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.474 ' H ' HG13 ' B' ' 71' ' ' ILE . 73.4 mtm -148.52 168.31 23.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.931 0.396 . . . . 0.0 111.154 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 27.2 mt -134.3 135.03 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.34 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 43' ' ' SER . 56.9 m-85 -116.63 158.16 24.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.796 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 1.1 tm-20 -129.51 94.8 3.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.244 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.402 -179.627 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.3 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.647 0.261 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.4 tpp -125.5 119.81 29.2 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.825 0.345 . . . . 0.0 111.345 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.578 ' HG2' HG12 ' B' ' 73' ' ' ILE . 30.5 mt-10 -78.12 146.62 35.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.592 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.19 142.25 44.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -101.83 151.64 0.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.156 2.571 . . . . 0.0 112.493 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.54 145.97 94.34 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.43 -44.34 0.8 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.507 2.138 . . . . 0.0 112.616 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -148.7 161.03 42.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.184 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 149.7 44.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.425 ' O ' HG12 ' B' ' 65' ' ' VAL . . . -175.74 173.39 46.22 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.819 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.3 t -115.98 127.24 73.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.677 0.275 . . . . 0.0 110.301 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.469 HG11 ' HA ' ' B' ' 61' ' ' VAL . 98.7 t -71.62 106.41 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.986 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -104.12 -32.67 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.702 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -157.29 124.02 5.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.558 ' HB2' HG22 ' B' ' 61' ' ' VAL . 33.1 tp -82.77 149.73 27.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.583 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -98.12 -47.18 5.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.198 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.56 139.74 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.944 0.402 . . . . 0.0 111.446 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -106.36 151.73 24.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.732 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.566 HG22 ' HB2' ' B' ' 57' ' ' LEU . 33.2 t -45.93 127.37 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.16 13.89 21.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -123.69 105.95 10.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.253 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -50.32 142.43 10.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.946 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 p -109.95 152.32 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.289 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -137.88 141.35 40.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.494 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 m -52.96 120.88 6.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.264 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.26 -13.37 21.36 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.731 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.2 p -93.81 164.6 13.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.77 0.319 . . . . 0.0 110.795 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.2 mt -86.76 165.0 16.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 72' ' ' MET . 24.6 pt -132.3 -44.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.545 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.472 ' N ' HG13 ' A' ' 71' ' ' ILE . 8.8 ptm -167.44 160.74 13.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.653 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.597 HG12 ' HG2' ' B' ' 45' ' ' GLU . 3.9 mp -131.28 135.65 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.47 ' CZ ' HG11 ' B' ' 65' ' ' VAL . 29.9 m-85 -111.39 160.94 16.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.994 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -94.99 93.13 7.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 -179.191 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.703 0.287 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 54.4 tpp -118.33 123.13 44.57 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.597 ' HG2' HG12 ' A' ' 73' ' ' ILE . 33.3 mt-10 -80.7 147.68 30.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.579 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 24.6 m -130.53 141.67 42.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.368 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 66.1 Cg_endo -101.59 153.14 0.35 Allowed 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.281 2.654 . . . . 0.0 112.5 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.55 146.34 96.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.23 -43.21 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.43 2.087 . . . . 0.0 112.532 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -149.64 165.17 33.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.33 151.17 42.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.326 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.35 -179.07 48.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.26 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 41.6 t -116.97 133.65 63.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.938 0.399 . . . . 0.0 111.37 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.477 HG11 ' HA ' ' A' ' 61' ' ' VAL . 78.2 t -74.87 106.68 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -104.44 -33.8 8.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -156.26 125.87 6.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.073 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.566 ' HB2' HG22 ' A' ' 61' ' ' VAL . 31.7 tp -84.41 149.45 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.571 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -97.93 -47.27 5.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.284 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.54 139.76 44.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.907 0.384 . . . . 0.0 111.525 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -106.77 151.86 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.714 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.558 HG22 ' HB2' ' A' ' 57' ' ' LEU . 38.8 t -46.51 126.33 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.33 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.05 11.94 23.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.302 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -122.03 110.73 16.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -55.29 143.05 29.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.47 HG11 ' CZ ' ' A' ' 74' ' ' PHE . 8.5 p -109.05 153.81 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.306 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -140.29 143.01 35.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.54 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 8.6 m -54.45 119.99 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.405 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.24 -12.27 21.78 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.656 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 90.7 p -94.91 163.36 13.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.731 0.3 . . . . 0.0 110.821 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 70.8 mt -86.4 164.89 16.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.458 HG13 ' N ' ' B' ' 72' ' ' MET . 23.9 pt -132.12 -43.52 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.318 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.458 ' N ' HG13 ' B' ' 71' ' ' ILE . 8.9 ptm -168.59 161.98 11.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.787 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.578 HG12 ' HG2' ' A' ' 45' ' ' GLU . 3.7 mp -131.33 139.35 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.73 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -115.23 157.26 23.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.637 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -92.26 91.76 7.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.076 -179.766 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.69 0.281 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.4 tpt -135.96 118.62 16.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.062 0.458 . . . . 0.0 110.923 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.568 ' HG2' HD12 ' B' ' 73' ' ' ILE . 31.6 mt-10 -80.51 149.47 30.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.895 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.429 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 34.4 m -132.28 136.57 28.3 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.004 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 69.1 Cg_endo -101.81 148.23 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.143 2.562 . . . . 0.0 112.527 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.83 139.74 86.52 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.95 -41.27 5.53 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.416 2.077 . . . . 0.0 112.556 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -150.39 154.34 37.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.108 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.423 ' HA ' HG13 ' B' ' 65' ' ' VAL . . . -65.98 157.24 31.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.391 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . 170.24 168.17 31.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 119.998 -1.096 . . . . 0.0 113.381 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.0 t -97.72 139.01 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.732 0.301 . . . . 0.0 110.981 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -71.81 114.56 10.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.897 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -82.76 -52.04 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.527 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -166.52 142.78 4.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.8 tp -74.2 146.56 43.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.128 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -116.0 -34.5 4.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.8 m -118.7 139.87 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.942 0.401 . . . . 0.0 111.509 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.544 HD22 ' N ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -91.53 150.8 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.781 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.6 t -60.84 128.84 22.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.28 1.18 47.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -106.41 117.43 34.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.816 0.341 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -51.46 167.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.438 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 p -127.44 160.47 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.925 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -142.25 149.96 40.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p -58.26 121.26 10.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.6 -9.68 30.33 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.653 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.5 t -97.91 132.68 43.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 111.037 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.1 mt -72.17 163.85 27.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.591 HG13 ' H ' ' A' ' 72' ' ' MET . 10.4 pt -126.2 -55.99 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.448 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.591 ' H ' HG13 ' A' ' 71' ' ' ILE . 67.1 mtt -149.14 146.05 27.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.753 0.311 . . . . 0.0 110.726 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.569 HD12 ' HG2' ' B' ' 45' ' ' GLU . 6.9 mm -111.72 130.75 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.647 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.548 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 73.3 m-85 -106.2 157.78 17.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.138 0.494 . . . . 0.0 111.917 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -106.46 108.57 20.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.364 178.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.024 0.44 . . . . 0.0 111.463 -178.687 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.774 0.321 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 16.9 tpt -127.17 121.45 31.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.569 ' HG2' HD12 ' A' ' 73' ' ' ILE . 34.1 mt-10 -83.72 147.22 27.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.731 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.445 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.8 m -128.58 135.77 28.1 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.312 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 64.9 Cg_endo -101.66 150.49 0.32 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.219 2.613 . . . . 0.0 112.402 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.61 139.01 92.96 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.96 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -68.72 -41.65 5.65 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.285 1.99 . . . . 0.0 112.444 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -150.26 158.53 44.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.05 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.22 153.74 39.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . 0.48 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . 171.87 173.7 38.87 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.498 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 25.1 t -98.23 143.27 13.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.963 0.411 . . . . 0.0 111.488 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 52.7 t -74.87 114.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.012 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -83.21 -52.15 6.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -165.48 147.26 7.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 56.3 tp -78.87 145.51 34.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.049 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -114.97 -34.61 5.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 31.1 m -118.83 139.97 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.443 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.547 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.9 OUTLIER -91.97 151.0 20.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 41.4 t -61.27 129.27 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.011 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.6 -3.32 42.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.544 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -102.56 123.26 45.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.707 0.289 . . . . 0.0 110.803 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -56.92 170.07 0.46 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.295 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' A' ' 51' ' ' ALA . 4.3 p -128.32 161.28 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.027 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -144.6 150.76 37.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.021 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 68.5 p -59.24 121.35 11.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.311 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.13 -9.16 31.35 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.492 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 39.1 t -98.36 131.87 44.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 67.5 mt -72.13 164.23 26.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.561 HG13 ' H ' ' B' ' 72' ' ' MET . 10.2 pt -127.01 -55.34 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.602 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.561 ' H ' HG13 ' B' ' 71' ' ' ILE . 66.3 mtt -150.25 144.6 25.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.041 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.568 HD12 ' HG2' ' A' ' 45' ' ' GLU . 4.4 mm -110.22 136.48 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.225 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.48 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 68.5 m-85 -112.66 155.67 24.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 111.453 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -104.32 100.16 9.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.333 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.36 -179.582 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 79.6 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.832 0.348 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.0 tpp -146.4 119.83 9.04 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -73.6 156.72 37.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.409 HG11 ' HG3' ' B' ' 49' ' ' PRO . 35.4 m -132.17 150.51 76.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 66.1 Cg_endo -101.69 165.54 0.33 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.313 2.675 . . . . 0.0 112.38 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.39 145.53 59.78 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.847 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.46 ' HG3' HG11 ' B' ' 46' ' ' VAL . 44.3 Cg_endo -68.71 -51.81 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.4 2.067 . . . . 0.0 112.567 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -145.06 151.96 39.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.07 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.54 143.3 41.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.576 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -168.53 -167.93 29.87 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.305 -0.95 . . . . 0.0 113.227 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.509 HG13 ' HG2' ' B' ' 64' ' ' LYS . 59.8 t -134.8 128.23 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.714 0.292 . . . . 0.0 110.733 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.3 t -71.74 101.99 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.067 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -123.4 -33.03 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.01 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 73' ' ' ILE . 16.1 mm-40 -117.09 92.98 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.214 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.439 HD21 ' ND2' ' A' ' 60' ' ' ASN . 6.3 tt -69.36 142.06 54.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.802 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 70' ' ' LEU . 3.5 tmtp? -113.87 -46.09 3.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.723 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.426 HG12 ' H ' ' A' ' 60' ' ' ASN . 2.6 t -118.69 164.73 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.439 ' ND2' HD21 ' A' ' 57' ' ' LEU . 4.7 m120 -109.5 151.12 27.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.752 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.4 t -63.33 127.9 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.098 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.45 ' H ' HG11 ' B' ' 54' ' ' VAL . . . 101.43 3.81 53.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.437 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -104.7 123.43 47.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.063 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.514 ' HG2' HG13 ' B' ' 53' ' ' VAL . 96.3 mttt -51.45 151.3 3.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.18 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 p -114.3 157.56 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -140.47 133.87 29.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.663 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.6 m -52.23 134.04 33.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.43 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.62 -18.27 50.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.558 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.0 m -95.53 153.93 17.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.77 0.319 . . . . 0.0 110.79 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.467 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 76.5 mt -80.38 158.84 25.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.537 HG13 ' H ' ' A' ' 72' ' ' MET . 12.6 pt -117.68 -52.67 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.537 ' H ' HG13 ' A' ' 71' ' ' ILE . 62.9 mtt -150.25 166.42 29.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' A' ' 56' ' ' GLU . 39.1 mt -128.36 130.58 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.743 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.576 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 49.8 m-85 -113.02 151.12 31.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.986 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.52 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 34.5 tt0 -119.57 92.23 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.916 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 -179.565 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 84.7 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.708 0.289 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 52.2 tpp -140.85 121.82 14.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.054 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -75.53 156.87 34.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.754 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.46 HG11 ' HG3' ' A' ' 49' ' ' PRO . 35.2 m -132.28 150.82 77.04 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.416 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.467 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 69.5 Cg_endo -101.74 167.97 0.31 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.323 2.682 . . . . 0.0 112.428 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.13 144.75 51.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.409 ' HG3' HG11 ' A' ' 46' ' ' VAL . 42.2 Cg_endo -68.68 -49.88 0.72 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.32 2.013 . . . . 0.0 112.705 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -147.27 153.23 39.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.86 142.23 57.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . 0.595 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . -170.18 -164.39 25.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.676 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.514 HG13 ' HG2' ' A' ' 64' ' ' LYS . 60.1 t -133.71 134.03 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.34 . . . . 0.0 111.1 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.45 HG11 ' H ' ' A' ' 62' ' ' GLY . 69.6 t -75.41 101.79 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -123.13 -34.16 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.975 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.432 ' HB2' ' HB ' ' B' ' 73' ' ' ILE . 14.7 mm-40 -116.11 95.67 5.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.229 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.449 HD21 ' ND2' ' B' ' 60' ' ' ASN . 6.0 tt -71.35 143.19 50.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . 0.429 ' NZ ' ' HB2' ' B' ' 70' ' ' LEU . 3.6 tmtp? -115.58 -46.25 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.777 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -118.44 162.67 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.449 ' ND2' HD21 ' B' ' 57' ' ' LEU . 4.6 m120 -107.94 151.23 26.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.25 126.99 22.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.24 1.02 47.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.578 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.09 128.06 48.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.984 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.509 ' HG2' HG13 ' A' ' 53' ' ' VAL . 96.2 mttt -56.21 150.61 13.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.1 p -112.02 160.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -143.87 135.37 25.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.885 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.3 m -53.56 132.88 41.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.359 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.91 -19.83 42.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 51.1 m -94.14 154.42 17.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.808 0.337 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 68.8 mt -81.56 158.37 24.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.756 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.52 HG13 ' H ' ' B' ' 72' ' ' MET . 12.9 pt -117.23 -52.14 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.215 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.52 ' H ' HG13 ' B' ' 71' ' ' ILE . 63.9 mtt -151.02 166.66 30.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.432 ' HB ' ' HB2' ' B' ' 56' ' ' GLU . 36.9 mt -127.43 135.72 62.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.503 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.595 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 41.6 m-85 -119.81 145.34 46.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.864 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.529 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 27.5 tt0 -114.42 93.21 4.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.351 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.308 -179.713 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.599 0.238 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 45.7 tpp -142.58 123.16 14.09 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.027 0.441 . . . . 0.0 111.336 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -78.12 136.25 37.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.847 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.435 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 35.3 m -115.06 141.34 26.84 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.071 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 73.6 Cg_endo -101.48 172.22 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.299 2.666 . . . . 0.0 112.606 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.74 141.22 38.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.59 -44.98 1.86 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.536 2.157 . . . . 0.0 112.803 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -142.09 159.59 41.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.021 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.13 152.35 44.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.703 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.65 159.71 12.76 Favored Glycine 0 C--O 1.228 -0.277 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.803 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.614 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 17.2 m -97.17 139.56 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 120.97 0.414 . . . . 0.0 110.981 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.4 t -73.74 133.09 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -128.5 -48.67 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -135.73 108.13 7.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.149 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -75.03 177.75 6.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.728 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HG2' ' HB2' ' A' ' 70' ' ' LEU . 58.3 tptt -129.78 -38.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.777 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.21 143.33 32.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.549 HD22 ' N ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -96.9 150.92 20.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.699 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.427 HG21 HD13 ' B' ' 57' ' ' LEU . 41.0 t -56.99 130.19 19.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.8 -4.07 61.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.377 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -104.1 115.73 30.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.798 0.333 . . . . 0.0 111.184 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.663 ' HA ' ' HA ' ' B' ' 53' ' ' VAL . 22.5 ptmt -47.82 169.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.147 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.41 HG22 ' H ' ' A' ' 66' ' ' LYS . 5.2 p -135.12 164.96 32.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.645 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' H ' HG22 ' A' ' 65' ' ' VAL . 68.3 mttm -141.4 152.38 44.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 111.021 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.2 p -59.92 127.94 34.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.205 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.86 -3.77 62.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.598 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 t -101.85 137.35 40.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.461 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 85.0 mt -66.35 161.48 22.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.033 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.8 pt -128.27 -38.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.292 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.401 ' O ' HG22 ' B' ' 46' ' ' VAL . 56.0 ttm -164.89 158.37 17.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.878 0.371 . . . . 0.0 111.07 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.3 mt -129.15 129.83 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.437 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -101.34 126.5 48.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.907 0.384 . . . . 0.0 111.62 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -93.17 92.49 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.064 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.978 -179.593 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.66 0.267 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 45.4 tpp -138.52 127.15 23.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.026 0.441 . . . . 0.0 111.326 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.63 136.31 35.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.453 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 34.7 m -113.57 140.67 24.83 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.18 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 68.5 Cg_endo -101.34 174.76 0.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.181 2.587 . . . . 0.0 112.438 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.64 140.09 33.51 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.16 -45.69 1.8 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.482 2.121 . . . . 0.0 112.58 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -141.84 162.42 35.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.976 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.92 149.9 39.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.969 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.8 161.45 17.44 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.149 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.663 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 7.6 m -97.32 143.02 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.007 0.432 . . . . 0.0 111.284 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.4 t -74.72 135.49 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.07 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -131.77 -49.12 0.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.101 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -135.64 109.18 7.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.427 HD13 HG21 ' A' ' 61' ' ' VAL . 2.3 pt? -76.46 178.71 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.711 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . 0.404 ' HG2' ' HB2' ' B' ' 70' ' ' LEU . 59.0 tptt -130.39 -38.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.706 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.9 142.94 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.543 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.9 OUTLIER -96.6 151.04 19.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.795 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 42.5 t -56.94 130.37 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.68 -10.74 60.95 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -97.43 124.76 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.794 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.614 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 22.2 ptmt -55.93 174.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.73 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.1 p -137.64 165.05 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.334 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -144.26 152.67 41.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 0.0 111.015 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 75.1 p -59.79 128.98 39.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.317 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.21 -6.54 66.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.632 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 43.5 t -98.79 137.94 36.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 111.078 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.448 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 79.6 mt -68.24 161.09 27.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 29.4 pt -128.0 -36.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.502 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.422 ' O ' HG22 ' A' ' 46' ' ' VAL . 54.7 ttm -167.38 155.74 9.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.922 0.391 . . . . 0.0 111.217 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 38.6 mt -125.77 136.68 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.132 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -108.79 124.09 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 111.439 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -90.39 92.75 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.225 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.104 -179.614 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.652 0.263 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 17.8 ttt -144.53 125.52 14.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.884 0.373 . . . . 0.0 111.422 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.512 ' HG2' HG12 ' B' ' 73' ' ' ILE . 25.8 mt-10 -76.46 99.33 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.451 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 31.8 m -72.07 130.9 85.91 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.302 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 69.3 Cg_endo -101.63 167.84 0.32 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.187 2.592 . . . . 0.0 112.467 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.93 140.08 77.15 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.27 -45.82 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.382 2.055 . . . . 0.0 112.646 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -143.8 156.53 44.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.979 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.61 155.84 38.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.795 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.77 -160.56 26.39 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.302 -0.952 . . . . 0.0 113.19 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.7 t -129.85 124.79 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.768 0.318 . . . . 0.0 110.59 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.51 100.71 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.152 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -79.58 -53.21 7.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.17 144.02 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.101 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -105.94 172.12 6.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.766 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -134.59 6.01 3.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.327 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.407 ' C ' HD22 ' A' ' 60' ' ' ASN . 27.5 m -118.68 140.37 42.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.939 0.399 . . . . 0.0 111.26 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.498 HD22 ' N ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -106.38 148.38 28.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.864 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.5 t -64.87 120.74 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.61 -14.04 17.78 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -92.67 117.92 30.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 111.029 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' NZ ' ' HB3' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -53.79 158.6 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.232 179.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 66' ' ' LYS . 8.9 p -114.95 161.87 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.136 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' N ' HG22 ' A' ' 65' ' ' VAL . 37.3 mtmm -140.22 161.11 38.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.672 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.5 p -73.09 118.6 16.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.36 -2.61 28.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.593 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.2 p -101.63 131.57 47.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.348 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.453 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 74.3 mt -68.21 170.41 8.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.75 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.492 HG13 ' H ' ' A' ' 72' ' ' MET . 14.6 pt -136.11 -51.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.305 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.492 ' H ' HG13 ' A' ' 71' ' ' ILE . 72.3 mtm -149.3 164.76 33.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.779 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.485 HG12 ' HG2' ' B' ' 45' ' ' GLU . 3.4 mp -134.98 129.81 51.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.577 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -108.92 124.84 51.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 111.571 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -91.03 92.57 8.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.012 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.931 -179.748 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.683 0.278 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 18.1 ttt -140.2 130.38 25.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.891 0.377 . . . . 0.0 111.169 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.485 ' HG2' HG12 ' A' ' 73' ' ' ILE . 29.3 mt-10 -80.78 102.35 9.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.265 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.463 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 35.9 m -74.25 130.56 82.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.533 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 76.3 Cg_endo -101.78 168.66 0.31 Allowed 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.284 2.656 . . . . 0.0 112.433 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.92 139.97 73.73 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.33 -44.44 1.13 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.359 2.039 . . . . 0.0 112.629 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -145.44 157.34 44.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 111.104 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.24 153.34 42.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.066 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.0 -156.38 18.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.628 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.6 t -130.1 128.51 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 111.086 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.8 t -73.71 101.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.058 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -80.5 -53.27 6.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.6 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.79 145.81 9.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.027 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -108.01 170.49 7.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.851 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -133.02 6.27 3.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.309 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.402 ' C ' HD22 ' B' ' 60' ' ' ASN . 27.0 m -119.02 139.87 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 111.465 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.51 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.9 OUTLIER -106.02 149.19 26.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.618 179.775 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 45.2 t -66.1 121.44 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.72 -14.45 17.32 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -92.31 120.57 32.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.766 0.317 . . . . 0.0 110.794 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.45 ' NZ ' ' HB3' ' B' ' 64' ' ' LYS . 0.3 OUTLIER -56.35 158.19 4.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.408 HG22 ' N ' ' B' ' 66' ' ' LYS . 5.6 p -113.26 164.08 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.408 ' N ' HG22 ' B' ' 65' ' ' VAL . 37.2 mtmm -143.38 162.02 36.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.853 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 72.0 p -73.47 117.9 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.79 -0.27 28.86 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.668 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 88.2 p -104.22 130.96 51.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.816 0.341 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 73.6 mt -67.92 170.43 8.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.798 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.489 HG13 ' H ' ' B' ' 72' ' ' MET . 14.7 pt -136.4 -51.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.489 ' H ' HG13 ' B' ' 71' ' ' ILE . 73.5 mtm -149.44 165.6 31.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.512 HG12 ' HG2' ' A' ' 45' ' ' GLU . 3.1 mp -135.23 135.69 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.206 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -114.93 122.72 47.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.26 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -89.04 92.58 9.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.874 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 -179.558 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.549 ' HB2' ' HA ' ' B' ' 75' ' ' GLU . 47.1 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.716 0.293 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 56.9 ttp -152.82 129.38 10.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.192 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -69.11 148.63 49.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.649 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.429 HG11 ' HG3' ' B' ' 49' ' ' PRO . 33.0 m -124.73 144.53 46.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -101.78 146.75 0.27 Allowed 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 123.228 2.619 . . . . 0.0 112.37 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.77 145.27 78.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.012 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.44 ' HG3' HG11 ' B' ' 46' ' ' VAL . 43.4 Cg_endo -68.27 -50.54 0.72 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.457 2.104 . . . . 0.0 112.479 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -146.6 149.62 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.82 145.3 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.435 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -173.23 -169.95 36.27 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.855 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.7 t -129.38 130.93 67.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.76 0.314 . . . . 0.0 110.483 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.6 t -71.52 109.68 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.042 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -112.81 -47.98 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.766 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -124.6 106.68 10.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.03 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.7 tp -89.94 124.01 34.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.716 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -104.1 -3.02 25.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.455 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.0 m -118.98 141.52 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 111.271 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -124.71 151.64 44.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.747 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.9 t -54.05 119.88 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.26 13.25 57.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -104.22 108.99 20.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -48.92 150.99 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.342 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.94 156.26 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.802 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -138.69 148.94 44.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.6 m -62.1 129.78 42.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.27 -16.67 58.89 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.0 t -84.21 157.27 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 70' ' ' LEU . 7.8 mp -79.48 155.69 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.767 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 72' ' ' MET . 19.0 pt -128.87 -48.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.617 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.472 ' N ' HG13 ' A' ' 71' ' ' ILE . 9.8 ptm -168.1 143.31 3.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.816 0.341 . . . . 0.0 111.141 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.1 mt -110.15 138.88 35.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.435 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 58.9 m-85 -111.12 130.23 55.68 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' HB2' ' B' ' 43' ' ' SER . 40.0 tt0 -93.67 92.28 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.429 HG12 ' HA2' ' A' ' 52' ' ' GLY . 4.3 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.595 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.51 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 48.3 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.608 0.242 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 60.1 ttp -148.02 130.35 15.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.34 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -70.31 150.2 46.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.534 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.44 HG11 ' HG3' ' A' ' 49' ' ' PRO . 32.7 m -125.79 145.01 50.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.262 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 76.9 Cg_endo -101.62 150.46 0.32 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.286 2.657 . . . . 0.0 112.532 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.23 144.49 94.68 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.821 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.429 ' HG3' HG11 ' A' ' 46' ' ' VAL . 40.6 Cg_endo -67.46 -49.33 1.26 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.49 2.127 . . . . 0.0 112.634 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -147.99 151.31 35.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.063 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.98 144.64 44.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.1 -163.59 28.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.61 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 45.1 t -130.93 134.94 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 111.109 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.3 t -74.16 109.66 7.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -112.8 -50.24 2.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.972 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -122.43 108.53 13.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 32.9 tp -91.08 124.32 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.662 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -104.13 -3.13 24.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.415 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.87 141.83 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 111.362 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -125.03 151.49 45.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.573 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.42 119.59 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.085 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.9 10.67 58.56 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.581 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -101.47 112.49 25.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.709 0.29 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -52.49 150.1 5.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.262 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.18 158.5 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.81 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -142.49 150.28 40.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 111.09 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.8 m -63.46 129.34 39.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.16 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.51 -17.59 57.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.532 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 47.3 t -82.92 157.97 22.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.408 ' N ' HD12 ' B' ' 70' ' ' LEU . 8.0 mp -81.63 153.64 26.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.806 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.482 HG13 ' N ' ' B' ' 72' ' ' MET . 20.9 pt -126.76 -49.0 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.782 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.482 ' N ' HG13 ' B' ' 71' ' ' ILE . 10.1 ptm -168.14 142.37 3.41 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.79 0.328 . . . . 0.0 111.329 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 38.1 mt -107.1 145.85 14.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.45 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -118.84 126.79 52.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.736 0.303 . . . . 0.0 111.686 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 43' ' ' SER . 40.0 tt0 -90.83 92.74 8.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.693 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.4 -178.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.629 0.252 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.5 tpt -151.7 121.13 6.85 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.876 0.37 . . . . 0.0 111.321 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -65.23 147.57 53.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.755 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.8 m -121.51 137.51 27.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 64.2 Cg_endo -101.66 170.26 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.162 2.574 . . . . 0.0 112.493 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.11 143.11 69.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.68 -42.37 2.49 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.385 2.057 . . . . 0.0 112.457 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -146.83 152.05 38.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.99 146.4 47.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.407 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.46 -168.51 33.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.231 -0.985 . . . . 0.0 112.979 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.64 125.15 70.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.638 0.256 . . . . 0.0 110.823 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.7 t -71.57 108.66 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.956 0.408 . . . . 0.0 111.089 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -84.2 -67.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.796 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -149.74 127.54 11.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.793 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -58.98 152.49 19.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.816 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -112.73 -21.45 11.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.782 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.3 m -121.44 155.99 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -107.04 151.05 25.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.648 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.94 124.07 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.82 15.4 20.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.32 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -116.56 115.42 25.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.837 0.351 . . . . 0.0 111.085 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -49.38 142.76 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.26 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -110.85 157.58 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.04 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -142.49 157.21 44.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.0 p -61.95 121.25 12.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.71 -7.13 33.61 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.663 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.3 p -91.55 141.69 28.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.849 0.357 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.1 mt -83.75 146.64 28.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.758 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.512 HG13 ' H ' ' A' ' 72' ' ' MET . 9.4 pt -112.3 -52.59 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.463 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.512 ' H ' HG13 ' A' ' 71' ' ' ILE . 66.6 mtt -148.62 169.53 20.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.96 0.409 . . . . 0.0 111.248 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.415 HG12 ' HG2' ' B' ' 45' ' ' GLU . 35.4 mt -132.64 129.78 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.605 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -107.79 133.34 52.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 111.785 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -101.71 92.66 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.865 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.182 -179.439 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.644 0.259 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 15.5 tpt -146.23 125.28 12.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.061 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.415 ' HG2' HG12 ' A' ' 73' ' ' ILE . 28.5 mt-10 -68.37 148.93 50.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.725 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -121.81 137.36 27.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.072 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -101.78 172.97 0.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.261 2.641 . . . . 0.0 112.617 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.29 142.63 59.02 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.02 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.83 -43.11 1.9 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.363 2.042 . . . . 0.0 112.498 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -146.61 154.0 40.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.034 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.21 141.31 57.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -168.89 -162.76 21.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.572 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -124.13 129.72 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 111.202 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 73.2 t -74.49 109.12 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -85.62 -67.81 0.78 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -149.84 126.0 10.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -57.02 152.57 12.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.657 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -112.78 -21.88 10.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.706 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 26.7 m -120.6 155.87 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -107.3 150.29 26.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.764 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 46.1 t -66.26 124.77 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.14 13.08 25.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -114.69 120.14 39.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -53.91 142.18 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.091 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.16 158.13 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.987 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -144.18 158.66 43.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.018 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 71.7 p -62.65 122.06 14.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.34 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.52 -10.93 35.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.697 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 96.9 p -88.18 143.24 27.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 111.078 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 62.9 mt -85.8 146.52 26.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.735 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.517 HG13 ' H ' ' B' ' 72' ' ' MET . 10.3 pt -112.2 -52.75 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.601 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.517 ' H ' HG13 ' B' ' 71' ' ' ILE . 64.6 mtt -148.61 168.62 22.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.031 0.443 . . . . 0.0 111.336 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 27.7 mt -129.8 138.82 53.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.012 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -117.81 129.56 55.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.846 0.355 . . . . 0.0 111.464 -179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -97.92 92.72 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.228 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.959 -179.623 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.747 0.308 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.0 tpt -140.34 119.61 12.95 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -76.62 122.61 24.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.859 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 26.8 m -96.64 141.73 23.52 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 79.8 Cg_endo -101.83 169.48 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.183 2.589 . . . . 0.0 112.539 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.49 143.96 42.31 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.54 -43.21 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.499 2.133 . . . . 0.0 112.915 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -147.11 152.76 39.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.773 0.321 . . . . 0.0 111.15 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.07 150.55 47.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.492 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.14 -159.26 23.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.214 -0.994 . . . . 0.0 113.068 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 31.9 t -132.03 143.62 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.647 0.261 . . . . 0.0 110.562 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -71.78 118.21 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.92 0.391 . . . . 0.0 110.976 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -81.36 -61.08 2.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -160.34 134.62 7.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.465 ' HB2' HG22 ' B' ' 61' ' ' VAL . 6.6 tt -73.99 141.49 45.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.81 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.541 ' HG3' HG13 ' A' ' 59' ' ' VAL . 19.7 ptpt -125.56 -13.63 6.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.287 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.541 HG13 ' HG3' ' A' ' 58' ' ' LYS . 27.4 m -120.29 139.73 46.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.913 0.387 . . . . 0.0 111.467 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -101.75 151.45 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.483 HG22 ' HB2' ' B' ' 57' ' ' LEU . 43.7 t -52.95 119.97 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.51 15.0 28.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.437 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -103.86 100.72 10.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 111.095 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -48.15 153.07 0.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.352 179.71 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 p -115.88 163.19 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.942 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -140.76 150.69 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.847 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.9 p -59.0 122.99 15.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.188 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.25 -3.43 51.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.515 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.0 t -101.66 130.06 47.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.495 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 77.2 mt -67.0 160.04 27.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.781 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.517 HG13 ' H ' ' A' ' 72' ' ' MET . 12.7 pt -122.34 -52.13 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.403 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.517 ' H ' HG13 ' A' ' 71' ' ' ILE . 96.4 mmm -145.88 167.47 23.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.828 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.4 mt -134.43 129.33 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -107.0 152.93 23.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.993 0.425 . . . . 0.0 111.6 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -114.37 94.46 4.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.239 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 121.08 0.466 . . . . 0.0 111.769 -179.285 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 C--O 1.231 0.106 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 16.3 tpt -122.29 126.91 49.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.998 0.427 . . . . 0.0 111.76 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -83.14 118.28 23.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.247 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.4 m -91.97 141.2 25.1 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.521 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.495 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 68.1 Cg_endo -101.85 170.46 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 123.277 2.651 . . . . 0.0 112.409 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.25 143.19 41.75 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.856 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.81 -42.2 1.21 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.455 2.103 . . . . 0.0 112.676 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -148.2 154.52 40.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 111.108 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.01 147.85 49.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.06 -156.79 17.43 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.586 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.462 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 33.4 t -131.29 144.89 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 0.0 111.002 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -71.88 119.11 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -82.52 -63.77 1.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -157.4 136.22 11.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.483 ' HB2' HG22 ' A' ' 61' ' ' VAL . 6.6 tt -75.97 140.68 42.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.766 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . 0.534 ' HG3' HG13 ' B' ' 59' ' ' VAL . 19.8 ptpt -124.97 -12.23 7.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.523 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.534 HG13 ' HG3' ' B' ' 58' ' ' LYS . 25.4 m -121.76 139.69 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.95 0.405 . . . . 0.0 111.445 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -102.07 151.47 22.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 57' ' ' LEU . 41.9 t -52.56 119.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.41 12.98 31.83 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.645 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -101.98 103.08 13.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.746 0.307 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -50.56 153.63 1.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.34 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.42 HG22 ' H ' ' B' ' 66' ' ' LYS . 4.1 p -114.67 165.11 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.42 ' H ' HG22 ' B' ' 65' ' ' VAL . 68.3 mttm -143.62 151.37 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.861 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 78.7 p -59.89 122.9 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.242 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.7 -2.62 52.8 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.44 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.2 t -102.51 129.63 49.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.341 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 79.8 mt -66.8 160.45 25.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.806 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.513 HG13 ' H ' ' B' ' 72' ' ' MET . 14.1 pt -122.78 -52.41 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.319 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.513 ' H ' HG13 ' B' ' 71' ' ' ILE . 95.1 mmm -146.45 166.97 24.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.927 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 12.2 mt -133.16 135.28 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.436 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -113.08 152.62 29.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.032 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -114.18 92.9 4.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.854 179.829 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.525 ' HB2' ' HG3' ' B' ' 75' ' ' GLU . 47.0 t . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.643 0.259 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 65.5 mtt -145.96 119.84 9.32 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.861 0.362 . . . . 0.0 111.267 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.505 ' HG2' HD12 ' B' ' 73' ' ' ILE . 32.1 mt-10 -67.79 153.01 44.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.851 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.5 m -136.59 139.58 29.73 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.025 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 70.5 Cg_endo -101.78 154.55 0.35 Allowed 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.211 2.607 . . . . 0.0 112.639 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.37 148.62 97.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.17 -48.8 0.33 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.435 2.09 . . . . 0.0 112.632 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -149.86 153.27 36.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.972 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.78 141.52 55.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.669 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.457 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -164.03 -167.03 23.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.915 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.9 t -135.59 129.75 49.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.754 0.311 . . . . 0.0 110.476 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.0 t -71.4 101.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -100.17 -39.87 7.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -149.19 108.34 3.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -65.47 170.83 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.0 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -128.62 -38.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 t -118.58 162.76 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.747 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -111.56 147.53 35.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.677 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.2 t -62.8 120.93 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.62 -6.26 14.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -104.34 125.8 50.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -55.12 157.03 3.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.993 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 66' ' ' LYS . 9.3 p -114.51 159.58 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.233 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' N ' HG22 ' A' ' 65' ' ' VAL . 98.9 mttt -141.33 157.57 45.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.692 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.8 p -64.34 132.76 51.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.33 -13.23 67.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.561 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.4 t -89.52 142.29 27.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 70' ' ' LEU . 7.3 mp -79.09 165.84 22.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 72' ' ' MET . 19.7 pt -126.24 -47.79 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.577 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.477 ' N ' HG13 ' A' ' 71' ' ' ILE . 19.5 ptp -165.67 145.05 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.693 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.541 HD12 ' HG2' ' B' ' 45' ' ' GLU . 8.9 mm -106.68 133.03 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 111.265 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.457 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 55.9 m-85 -107.69 161.34 14.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.879 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.518 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 28.6 tt0 -129.78 92.1 3.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.192 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.518 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 45.0 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.699 0.285 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 66.7 mtt -139.18 124.57 19.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.015 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.541 ' HG2' HD12 ' A' ' 73' ' ' ILE . 34.2 mt-10 -72.38 152.15 42.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.45 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 24.9 m -134.34 138.87 31.24 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.371 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 64.3 Cg_endo -101.73 155.83 0.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.233 2.622 . . . . 0.0 112.471 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.23 148.39 98.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.52 -47.98 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.354 2.036 . . . . 0.0 112.857 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -150.04 154.69 38.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.99 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.59 141.36 58.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.268 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.75 -159.72 12.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.495 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.4 t -137.67 133.33 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.75 0.31 . . . . 0.0 111.259 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.3 t -73.01 102.29 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -100.26 -40.23 7.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -149.13 109.29 4.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -65.6 171.83 3.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -129.19 -38.79 1.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 t -118.51 164.13 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.743 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -112.48 148.23 34.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.752 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.52 120.06 9.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.98 -6.58 13.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.601 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -103.58 126.58 50.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' B' ' 64' ' ' LYS . 0.0 OUTLIER -55.78 156.36 5.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.091 -179.74 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.0 p -112.67 160.81 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.098 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -143.68 159.69 42.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.821 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 77.0 p -66.6 131.0 45.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.2 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.87 -12.37 65.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.496 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 46.1 t -90.67 143.43 26.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.43 ' N ' HD12 ' B' ' 70' ' ' LEU . 7.6 mp -80.74 166.25 21.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.736 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.467 HG13 ' N ' ' B' ' 72' ' ' MET . 21.0 pt -127.1 -46.25 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.546 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.467 ' N ' HG13 ' B' ' 71' ' ' ILE . 20.3 ptp -168.07 143.96 3.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.885 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.505 HD12 ' HG2' ' A' ' 45' ' ' GLU . 5.6 mm -105.17 139.72 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.72 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' A' ' 43' ' ' SER . 47.3 m-85 -115.42 159.28 21.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.292 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.525 ' HG3' ' HB2' ' A' ' 43' ' ' SER . 20.7 tt0 -127.08 92.41 3.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.883 0.373 . . . . 0.0 110.327 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.795 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.681 0.277 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 26.3 mmt -128.78 121.8 29.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.918 0.389 . . . . 0.0 111.409 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.516 ' HB3' HD22 ' B' ' 70' ' ' LEU . 2.3 mp0 -79.17 146.75 32.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.677 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.44 HG22 ' O ' ' B' ' 72' ' ' MET . 34.6 m -129.89 150.42 75.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -101.3 166.75 0.35 Allowed 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 123.202 2.601 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.51 141.67 52.9 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.81 -49.92 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.42 2.08 . . . . 0.0 112.437 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -145.47 151.41 38.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' B' ' 66' ' ' LYS . . . -62.46 126.38 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.03 -178.03 23.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.548 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.44 HG13 ' HD3' ' B' ' 64' ' ' LYS . 63.9 t -116.4 119.98 63.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.781 0.324 . . . . 0.0 110.645 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.401 HG12 ' H ' ' B' ' 62' ' ' GLY . 91.9 t -71.57 126.46 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.001 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -143.39 -39.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.286 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -127.52 100.06 5.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.961 0.41 . . . . 0.0 111.366 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -71.19 162.45 29.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.818 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -134.08 5.91 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.5 m -142.43 147.9 20.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.206 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -110.35 150.93 28.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.795 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.77 120.4 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.464 ' H ' HG12 ' B' ' 54' ' ' VAL . . . 95.19 4.16 61.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.416 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -98.1 125.69 43.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 111.05 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' HD3' HG13 ' B' ' 53' ' ' VAL . 34.9 mmtp -51.75 155.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.167 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -142.02 144.74 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.001 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -137.56 161.8 35.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.4 p -58.05 142.51 46.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.55 -25.32 19.05 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.645 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.7 m -79.28 136.61 37.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.747 0.308 . . . . 0.0 111.055 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.463 HD22 ' HB3' ' B' ' 45' ' ' GLU . 76.0 mt -68.24 128.26 35.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.736 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 72' ' ' MET . 21.8 pt -93.51 -46.96 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.448 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.457 ' N ' HG13 ' A' ' 71' ' ' ILE . 50.5 ttm -167.49 149.67 5.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.738 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.8 mt -116.97 131.26 70.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.057 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -105.76 156.83 17.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.237 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -98.92 93.0 5.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.559 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.237 -178.858 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.686 0.279 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 26.3 mmt -121.71 129.04 52.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.927 0.394 . . . . 0.0 111.102 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.463 ' HB3' HD22 ' A' ' 70' ' ' LEU . 2.4 mp0 -85.44 148.51 25.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.581 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 72' ' ' MET . 35.0 m -130.56 149.78 74.46 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.262 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -101.44 166.69 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.228 2.618 . . . . 0.0 112.53 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.46 141.37 52.75 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.82 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.9 -49.0 1.62 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.429 2.086 . . . . 0.0 112.525 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -146.4 152.84 39.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.43 129.21 39.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.284 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -156.07 -173.78 25.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.202 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.493 HG13 ' HD3' ' A' ' 64' ' ' LYS . 58.7 t -116.49 124.79 73.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.018 0.437 . . . . 0.0 111.503 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 62' ' ' GLY . 83.3 t -74.13 127.44 35.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.865 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -144.63 -38.56 0.28 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.462 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -127.94 100.11 5.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.844 0.354 . . . . 0.0 111.305 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -71.64 162.36 29.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.669 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -133.35 3.39 3.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.986 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 28.9 m -139.46 149.06 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.228 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -111.47 150.63 29.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.639 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.61 119.73 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . 0.401 ' H ' HG12 ' A' ' 54' ' ' VAL . . . 96.92 1.69 59.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.281 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -95.67 130.36 42.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.734 0.302 . . . . 0.0 110.816 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.44 ' HD3' HG13 ' A' ' 53' ' ' VAL . 34.7 mmtp -56.77 155.41 7.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.0 p -140.66 145.79 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 51' ' ' ALA . 97.2 mttt -139.73 162.22 35.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 72.6 p -58.33 140.9 52.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.261 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.98 -23.03 31.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.599 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 63.3 m -81.19 135.96 35.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.95 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.516 HD22 ' HB3' ' A' ' 45' ' ' GLU . 71.8 mt -67.93 127.9 34.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.723 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.461 HG13 ' N ' ' B' ' 72' ' ' MET . 20.2 pt -93.22 -46.9 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.377 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.461 ' N ' HG13 ' B' ' 71' ' ' ILE . 49.7 ttm -168.47 148.83 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 15.5 mt -114.06 137.37 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.662 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -113.13 150.93 31.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.979 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -93.33 92.02 7.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.899 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.19 -179.554 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.7 0.286 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.8 tpt -126.48 119.41 27.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.957 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.404 ' HG3' HG12 ' B' ' 73' ' ' ILE . 2.8 mp0 -78.97 139.89 38.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.704 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.445 HG22 ' O ' ' B' ' 72' ' ' MET . 34.7 m -117.75 143.34 32.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.847 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 53.1 Cg_endo -101.91 161.72 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.264 2.643 . . . . 0.0 112.613 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.14 141.15 70.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.198 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.74 -42.01 1.92 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.472 2.114 . . . . 0.0 112.551 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.59 150.64 33.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.981 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.57 153.25 32.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.574 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.448 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . 174.1 163.25 27.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.181 -1.009 . . . . 0.0 113.171 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.86 132.9 41.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.744 0.306 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 88.3 t -74.37 125.35 33.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -117.65 -52.32 2.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -137.1 118.55 14.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.401 ' HA ' ' SD ' ' A' ' 72' ' ' MET . 2.2 pt? -73.73 165.58 24.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.459 ' HG2' ' HB2' ' A' ' 70' ' ' LEU . 28.2 tptp -110.25 -44.42 3.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -122.86 154.77 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.529 HD22 ' N ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -94.21 151.1 19.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.813 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.1 t -57.24 122.45 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.012 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.75 0.51 32.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.39 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -104.29 124.83 49.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.876 0.369 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -54.37 173.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.39 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.73 161.18 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -143.96 153.3 42.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.5 p -61.61 126.85 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.82 -7.21 52.81 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.557 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.3 m -103.12 136.86 42.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.75 0.31 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.459 ' HB2' ' HG2' ' A' ' 58' ' ' LYS . 64.6 mt -64.5 167.01 7.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.793 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.4 pt -136.29 -33.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.626 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.42 ' O ' HG22 ' B' ' 46' ' ' VAL . 55.4 tpp -166.1 158.46 14.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.89 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.414 HG12 ' HG3' ' B' ' 45' ' ' GLU . 23.5 mt -128.86 128.68 67.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.448 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 90.0 m-85 -109.0 154.19 22.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 111.852 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -94.72 95.85 9.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.777 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.511 -179.025 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 56.7 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.718 0.294 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 17.3 tpt -119.25 123.83 45.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.414 ' HG3' HG12 ' A' ' 73' ' ' ILE . 3.1 mp0 -82.59 140.57 33.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.761 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 72' ' ' MET . 35.4 m -118.0 142.89 31.68 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.09 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 62.3 Cg_endo -101.29 166.21 0.35 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.021 2.48 . . . . 0.0 112.487 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.72 141.0 55.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.74 -41.65 2.1 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.28 1.987 . . . . 0.0 112.396 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -150.19 152.71 35.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.979 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.48 148.49 50.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.108 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . 0.408 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . 177.16 168.63 37.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.259 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 33.3 t -97.86 137.46 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 111.382 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.5 t -78.14 124.42 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.812 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -117.43 -54.16 2.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.289 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.04 120.7 19.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.047 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.41 ' H ' HD23 ' B' ' 57' ' ' LEU . 2.4 pt? -75.74 166.38 23.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.538 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . 0.471 ' HG2' ' HB2' ' B' ' 70' ' ' LEU . 28.3 tptp -110.93 -44.29 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -123.73 152.45 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.254 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.541 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.9 OUTLIER -91.98 151.31 20.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.883 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 61.7 t -57.68 122.23 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.12 -1.61 29.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.436 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -102.22 128.19 48.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 110.817 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -57.26 175.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 p -138.46 160.24 31.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -144.66 154.15 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.072 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 75.4 p -61.81 126.4 27.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.256 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.23 -6.2 53.25 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 64.8 m -103.65 135.87 44.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.334 . . . . 0.0 111.013 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.471 ' HB2' ' HG2' ' B' ' 58' ' ' LYS . 68.5 mt -65.12 165.29 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 25.7 pt -134.5 -34.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.677 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.445 ' O ' HG22 ' A' ' 46' ' ' VAL . 54.5 tpp -165.1 157.51 15.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.774 0.321 . . . . 0.0 111.035 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.404 HG12 ' HG3' ' A' ' 45' ' ' GLU . 16.8 mt -127.33 131.72 70.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.301 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.408 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 80.1 m-85 -111.92 152.68 27.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 111.206 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -93.34 92.71 7.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.264 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.41 -179.458 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' B' ' 74' ' ' PHE . 47.3 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.757 0.313 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.7 ttt -122.71 119.62 31.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.311 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.53 ' HG2' HD12 ' B' ' 73' ' ' ILE . 28.4 mt-10 -72.05 141.7 49.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.566 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.2 m -128.04 147.48 63.41 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.273 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -101.73 153.62 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.282 2.655 . . . . 0.0 112.562 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.82 147.38 93.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.762 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -64.16 -52.62 1.51 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.398 2.066 . . . . 0.0 112.435 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -149.69 154.4 38.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.997 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.35 138.03 57.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.395 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.505 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -164.86 -172.74 32.69 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.095 -179.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.3 t -120.21 125.97 74.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.722 0.296 . . . . 0.0 110.397 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.405 HG22 ' SD ' ' A' ' 72' ' ' MET . 89.4 t -71.61 102.42 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.982 0.42 . . . . 0.0 111.212 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 19.0 ptpt -83.03 -45.83 13.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.997 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 40.2 tt0 -163.84 119.03 1.58 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.817 0.342 . . . . 0.0 111.152 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.78 150.11 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.954 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -118.4 -5.61 10.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.812 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.7 m -123.9 146.45 29.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.052 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -108.86 149.16 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.666 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.2 t -63.1 120.66 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.15 -21.86 36.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.393 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -77.79 110.27 12.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.742 0.306 . . . . 0.0 111.007 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -48.97 151.18 1.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.426 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -114.67 160.07 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -141.55 147.16 37.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.783 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.7 m -63.67 123.43 18.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.155 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.46 -16.56 26.65 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.823 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.1 p -87.99 158.3 18.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.777 0.323 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 70' ' ' LEU . 7.2 mp -80.19 147.14 31.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 72' ' ' MET . 19.6 pt -118.51 -44.42 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.43 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.445 ' N ' HG13 ' A' ' 71' ' ' ILE . 50.2 ttm -168.49 149.25 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.656 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.553 HD12 ' HG2' ' B' ' 45' ' ' GLU . 6.5 mm -113.55 134.6 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.153 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.505 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 57.4 m-85 -114.55 133.49 55.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.171 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.419 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 33.6 tt0 -98.62 92.84 5.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.159 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.09 0.471 . . . . 0.0 111.239 -179.743 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 74' ' ' PHE . 51.0 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.723 0.297 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 22.3 ttt -113.55 125.8 54.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.553 ' HG2' HD12 ' A' ' 73' ' ' ILE . 32.5 mt-10 -78.88 139.88 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.548 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 15.4 m -124.89 146.17 52.41 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.585 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 77.0 Cg_endo -101.53 154.81 0.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.332 2.688 . . . . 0.0 112.382 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.25 145.82 98.0 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.4 -53.59 1.8 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.429 2.086 . . . . 0.0 112.415 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -148.82 158.83 44.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.872 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.75 134.06 50.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . 0.459 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . -163.18 -164.35 18.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 t -123.06 130.38 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 111.02 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.42 HG22 ' SD ' ' B' ' 72' ' ' MET . 89.6 t -73.68 104.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.104 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' B' ' 56' ' ' GLU . 18.8 ptpt -84.62 -46.94 11.02 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' B' ' 55' ' ' LYS . 39.3 tt0 -162.87 119.78 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -58.34 150.23 22.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -118.52 -5.28 10.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 26.1 m -123.94 146.31 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -108.98 149.44 29.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.719 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 35.3 t -63.06 119.8 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.21 -22.73 32.29 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.611 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -76.9 113.6 14.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.705 0.288 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -52.09 149.55 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.459 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.427 HG11 ' CE1' ' A' ' 74' ' ' PHE . 4.9 p -111.77 161.84 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.824 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -144.41 149.35 35.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.937 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 19.6 m -65.49 122.53 17.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.32 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.89 -16.37 25.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.591 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 96.0 p -88.07 157.43 18.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.896 0.379 . . . . 0.0 111.069 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.431 ' N ' HD12 ' B' ' 70' ' ' LEU . 7.4 mp -80.08 147.04 31.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.439 HG13 ' N ' ' B' ' 72' ' ' MET . 20.1 pt -118.3 -45.32 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.289 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.439 ' N ' HG13 ' B' ' 71' ' ' ILE . 49.7 ttm -168.69 148.43 4.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.53 HD12 ' HG2' ' A' ' 45' ' ' GLU . 4.5 mm -111.49 139.38 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.819 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.459 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 53.3 m-85 -120.77 129.06 53.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.941 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 31.4 tt0 -94.11 92.99 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.194 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.552 ' HB3' ' HG2' ' B' ' 75' ' ' GLU . 82.8 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.654 0.264 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 47.0 tpp -161.72 119.56 2.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.877 0.37 . . . . 0.0 111.165 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.95 140.78 51.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.669 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.458 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 34.0 m -120.91 141.18 32.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.335 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 72.9 Cg_endo -101.61 171.48 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.293 2.662 . . . . 0.0 112.58 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.79 134.69 43.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.77 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -63.64 -52.46 1.84 Allowed 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.393 2.062 . . . . 0.0 112.458 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -141.06 152.09 44.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.16 164.46 6.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 162.7 166.29 21.23 Favored Glycine 0 C--N 1.33 0.202 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.885 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.455 HG22 ' HG2' ' B' ' 64' ' ' LYS . 35.1 t -101.01 130.93 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.822 0.344 . . . . 0.0 110.992 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.0 t -71.67 109.77 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -102.62 -32.89 9.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.838 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -165.67 135.6 3.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.298 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.516 ' H ' HD23 ' A' ' 57' ' ' LEU . 2.1 pt? -126.94 163.37 23.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.569 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -121.97 19.36 10.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.254 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.99 147.09 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.197 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -124.98 150.67 46.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.671 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.3 t -62.45 121.13 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.35 -6.07 45.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.544 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -97.48 124.97 41.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 0.0 111.188 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HG2' HG22 ' B' ' 53' ' ' VAL . 95.0 mttt -55.9 174.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.508 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.56 159.24 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.828 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -142.23 154.89 45.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.6 p -63.83 129.96 42.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.12 -6.9 60.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.542 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.1 t -95.15 133.07 39.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.3 mt -69.87 139.32 53.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.779 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.543 HG13 ' H ' ' A' ' 72' ' ' MET . 19.3 pt -106.63 -53.18 6.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.653 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.543 ' H ' HG13 ' A' ' 71' ' ' ILE . 63.9 mtt -148.68 161.11 42.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.862 0.363 . . . . 0.0 111.05 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.6 mt -134.13 124.86 47.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.632 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -103.59 159.13 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 111.258 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.535 ' HG2' ' HB3' ' B' ' 43' ' ' SER . 1.4 tm-20 -142.15 93.01 2.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.872 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.4 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.463 -179.372 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.535 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 80.0 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.668 0.271 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 47.3 tpp -158.67 122.38 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 111.172 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.15 140.75 45.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.616 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 34.9 m -120.34 140.88 30.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.427 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -101.75 173.15 0.27 Allowed 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.274 2.65 . . . . 0.0 112.362 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.15 134.7 40.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.421 ' HG3' HG11 ' A' ' 46' ' ' VAL . 30.7 Cg_endo -63.95 -52.17 1.86 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.279 1.986 . . . . 0.0 112.402 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -141.4 152.51 44.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.72 164.96 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.08 170.27 25.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.562 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.442 HG22 ' HG2' ' A' ' 64' ' ' LYS . 39.6 t -101.72 134.14 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.368 . . . . 0.0 111.372 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.44 109.46 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.251 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -102.24 -36.05 8.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -161.6 141.73 10.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.453 HD23 ' H ' ' B' ' 57' ' ' LEU . 2.2 pt? -133.34 162.83 30.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.387 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -122.07 19.59 10.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.219 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 29.5 m -125.89 146.29 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.256 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -124.93 151.28 45.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.644 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.07 120.74 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.42 -8.69 41.12 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.596 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.65 130.85 40.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.455 ' HG2' HG22 ' A' ' 53' ' ' VAL . 95.7 mttt -61.71 176.76 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.089 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.27 159.83 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -143.98 155.65 44.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.968 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 72.3 p -64.74 130.11 42.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.091 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.78 -6.17 60.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.439 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 46.9 t -95.93 132.58 41.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 78.1 mt -69.79 139.02 53.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.514 HG13 ' N ' ' B' ' 72' ' ' MET . 19.6 pt -106.33 -51.73 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.46 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.514 ' N ' HG13 ' B' ' 71' ' ' ILE . 65.1 mtt -150.43 161.96 41.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.896 0.379 . . . . 0.0 111.229 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 39.8 mt -135.25 127.85 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.329 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -107.6 160.29 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.928 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.552 ' HG2' ' HB3' ' A' ' 43' ' ' SER . 1.7 tm-20 -142.79 92.98 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.942 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.204 -179.263 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 83.3 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.767 0.318 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.3 tpp -149.85 119.12 6.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.414 ' HG3' HG12 ' B' ' 73' ' ' ILE . 2.6 mp0 -71.29 154.21 41.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.823 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.429 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 35.8 m -127.9 138.29 32.6 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.561 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 64.7 Cg_endo -101.52 159.56 0.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.231 2.621 . . . . 0.0 112.634 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.36 130.89 85.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.82 -37.8 33.31 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.351 2.034 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -150.0 145.87 26.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.4 157.76 22.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.767 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.04 -165.96 38.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.996 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.0 t -120.59 139.01 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.682 0.277 . . . . 0.0 110.783 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.5 t -71.76 108.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.012 0.434 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -66.77 -63.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.039 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -162.35 141.59 9.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.92 132.01 52.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.642 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -120.6 -5.72 9.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.097 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.7 m -135.33 139.74 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 111.096 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.528 HD22 ' N ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -91.03 147.93 22.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.3 t -65.09 127.61 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.43 1.08 60.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.444 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -94.71 106.88 18.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 111.018 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -48.32 148.75 1.77 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.964 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 66' ' ' LYS . 3.4 p -109.73 164.68 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.291 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.403 ' H ' HG22 ' A' ' 65' ' ' VAL . 38.6 mtmm -142.06 154.17 44.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.591 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.3 p -65.82 122.37 17.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.117 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.18 -5.03 30.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.679 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.5 p -112.4 122.07 46.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.788 0.327 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.577 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 2.7 pt? -60.69 155.97 17.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 72' ' ' MET . 22.0 pt -117.18 -43.76 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.313 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.45 ' N ' HG13 ' A' ' 71' ' ' ILE . 89.6 mtp -144.06 166.21 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.806 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.406 HG12 ' HG3' ' B' ' 45' ' ' GLU . 36.8 mt -137.12 129.31 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.986 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -109.81 161.67 15.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.459 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.456 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 0.8 OUTLIER -130.18 92.75 3.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.028 179.415 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.186 -179.756 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.456 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 79.0 p . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.759 0.314 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 51.5 tpp -140.72 122.6 15.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.406 ' HG3' HG12 ' A' ' 73' ' ' ILE . 2.6 mp0 -74.46 153.48 39.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.526 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 26.8 m -126.21 137.74 30.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.971 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.577 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 75.8 Cg_endo -101.44 162.73 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.175 2.583 . . . . 0.0 112.643 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.91 130.39 81.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.86 -38.85 21.78 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.352 2.035 . . . . 0.0 112.488 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -149.05 145.83 27.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.811 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.33 157.51 31.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.19 -162.34 35.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 40.1 t -121.7 139.75 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.878 0.371 . . . . 0.0 111.273 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.56 108.47 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.095 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -66.52 -65.25 0.7 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.042 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -160.97 142.56 11.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.28 132.49 54.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.67 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -120.68 -7.36 9.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.19 139.91 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.113 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.532 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.9 OUTLIER -91.6 147.56 22.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 39.8 t -65.13 126.84 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.36 -0.92 58.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.364 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -93.07 111.16 22.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.68 0.276 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -52.47 149.57 5.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 p -109.2 164.43 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.21 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -143.48 154.88 44.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.784 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 62.3 p -66.52 120.22 13.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.57 -8.9 24.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.636 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 89.6 p -109.68 124.8 51.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 2.7 pt? -63.75 157.66 23.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.444 HG13 ' N ' ' B' ' 72' ' ' MET . 23.7 pt -118.01 -42.69 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.353 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.444 ' N ' HG13 ' B' ' 71' ' ' ILE . 88.0 mtp -145.91 166.19 26.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.414 HG12 ' HG3' ' A' ' 45' ' ' GLU . 22.6 mt -136.73 134.84 48.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.563 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -115.54 161.27 18.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.955 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.501 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 1.0 OUTLIER -129.9 93.49 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.094 179.635 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.266 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.654 0.264 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 87.6 mtp -131.16 119.51 22.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.109 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.558 ' HB3' HD23 ' B' ' 70' ' ' LEU . 29.9 mt-10 -69.19 146.44 52.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.691 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.3 m -123.49 140.22 33.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.296 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.565 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 69.8 Cg_endo -102.08 166.87 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.307 2.671 . . . . 0.0 112.611 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.38 150.37 57.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.09 -43.81 0.68 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.487 2.124 . . . . 0.0 112.932 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.504 ' HA ' HG22 ' B' ' 67' ' ' THR . 37.5 p90 -150.05 158.55 44.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.794 0.331 . . . . 0.0 111.126 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.6 156.98 21.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.754 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.84 -170.92 43.98 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.945 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -128.08 124.86 63.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.7 0.286 . . . . 0.0 110.736 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -74.25 103.08 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -123.52 -6.47 8.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.215 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -163.33 110.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.893 0.378 . . . . 0.0 111.258 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 pp -95.67 172.06 8.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.776 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -128.03 -18.81 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.298 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.1 m -125.45 142.25 42.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.831 0.348 . . . . 0.0 111.604 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -99.66 151.19 21.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.3 t -53.69 126.28 9.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.313 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.36 14.03 39.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.398 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -109.05 115.23 29.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.959 0.409 . . . . 0.0 111.043 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -50.52 156.59 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.341 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 p -120.5 157.52 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -140.7 149.46 42.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.475 HG22 ' HA ' ' B' ' 50' ' ' PHE . 41.5 p -58.48 119.64 7.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.175 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.71 2.9 52.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.588 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 65.1 m -103.41 145.78 29.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.757 0.313 . . . . 0.0 110.78 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.57 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 8.5 mp -81.8 171.56 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.59 HG13 ' H ' ' A' ' 72' ' ' MET . 10.0 pt -132.1 -55.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.476 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.59 ' H ' HG13 ' A' ' 71' ' ' ILE . 66.3 mtt -146.96 174.59 11.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.875 0.369 . . . . 0.0 111.21 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.439 HG12 ' HG2' ' B' ' 45' ' ' GLU . 35.7 mt -130.98 129.74 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -106.13 141.53 37.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.624 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -90.36 93.84 9.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.635 178.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.271 -178.928 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.61 0.243 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 88.2 mtp -122.42 123.42 41.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.555 ' HB3' HD23 ' A' ' 70' ' ' LEU . 35.9 mt-10 -72.48 146.52 46.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 26.8 m -122.9 139.64 31.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.414 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.57 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 91.7 Cg_endo -101.77 169.98 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.201 2.6 . . . . 0.0 112.537 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.47 149.03 48.18 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.42 -43.86 0.91 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.432 2.088 . . . . 0.0 112.65 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.475 ' HA ' HG22 ' A' ' 67' ' ' THR . 39.3 p90 -150.19 161.79 41.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.885 0.374 . . . . 0.0 111.115 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.92 156.46 39.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.28 -163.76 35.37 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.323 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -129.0 132.26 67.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 111.457 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.9 t -79.74 103.72 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.831 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -125.37 -6.15 7.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.359 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -162.68 111.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 111.119 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.71 171.49 8.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -127.5 -18.5 4.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.39 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.69 142.72 41.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.885 0.374 . . . . 0.0 111.493 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -100.15 151.31 21.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.656 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -54.26 126.84 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.68 9.41 49.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -104.45 120.3 40.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.793 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -55.94 156.11 5.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.075 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.81 159.49 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.784 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -143.97 149.61 37.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 50' ' ' PHE . 67.3 p -58.5 120.18 8.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.265 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.04 1.21 51.63 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.8 m -102.62 145.51 29.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.565 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 8.1 mp -82.12 170.33 15.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.558 HG13 ' H ' ' B' ' 72' ' ' MET . 11.1 pt -131.36 -54.34 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.717 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.558 ' H ' HG13 ' B' ' 71' ' ' ILE . 67.3 mtt -148.26 174.02 12.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.959 0.409 . . . . 0.0 111.091 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 36.3 mt -129.33 136.07 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.359 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -113.44 137.89 50.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.767 0.318 . . . . 0.0 111.188 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -86.83 92.34 8.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.939 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.188 -179.503 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.616 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 80.2 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.756 0.312 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 54.7 ttp -132.55 119.46 20.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.459 ' HB2' HD12 ' B' ' 70' ' ' LEU . 11.4 pt-20 -77.98 131.45 37.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.635 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 27.4 m -110.42 146.98 35.42 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.244 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 60.6 Cg_endo -101.55 165.85 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.28 2.653 . . . . 0.0 112.376 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.24 142.37 89.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.415 ' HG3' HG11 ' B' ' 46' ' ' VAL . 41.9 Cg_endo -67.19 -44.53 4.84 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.554 2.17 . . . . 0.0 112.509 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -149.89 151.97 34.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.013 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.76 136.99 57.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.289 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.564 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -166.16 -174.59 35.73 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.112 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.515 HG22 ' HG3' ' B' ' 64' ' ' LYS . 36.9 t -128.63 143.47 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.654 0.264 . . . . 0.0 110.465 179.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.571 HG11 ' H ' ' B' ' 62' ' ' GLY . 94.1 t -71.62 110.64 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -99.39 -41.87 7.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -148.08 132.88 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.148 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.2 tp -85.04 142.38 29.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.973 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -134.01 1.77 3.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.279 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.7 m -139.11 142.78 32.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.928 0.394 . . . . 0.0 111.328 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.544 ' N ' HD22 ' A' ' 60' ' ' ASN . 0.9 OUTLIER -103.12 151.26 22.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.785 179.829 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.2 125.26 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.847 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.621 ' H ' HG11 ' B' ' 54' ' ' VAL . . . 90.35 8.09 66.64 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.125 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -98.37 113.66 25.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 111.114 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.529 ' HG3' HG22 ' B' ' 53' ' ' VAL . 88.2 tttt -45.21 141.17 2.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.385 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 66' ' ' LYS . 9.5 p -109.52 162.59 7.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.941 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' N ' HG22 ' A' ' 65' ' ' VAL . 68.7 mttm -143.1 148.41 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.851 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.8 m -62.69 120.59 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.11 -14.36 31.16 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.444 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.1 t -86.34 148.1 25.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' B' ' 45' ' ' GLU . 3.6 mm? -75.28 133.6 41.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.797 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.557 HG13 ' H ' ' A' ' 72' ' ' MET . 13.5 pt -108.11 -52.8 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.426 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.557 ' H ' HG13 ' A' ' 71' ' ' ILE . 26.1 mmt -148.65 156.76 42.83 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.3 mp -131.83 129.65 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.378 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.564 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 23.4 m-85 -121.28 139.31 53.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.536 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.614 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 38.6 tt0 -103.09 92.39 4.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.935 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.375 -179.336 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.614 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 80.7 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.707 0.289 . . . . 0.0 111.364 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 57.3 ttp -129.9 119.97 24.13 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.981 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.445 ' HB2' HD12 ' A' ' 70' ' ' LEU . 10.4 pt-20 -78.17 133.24 37.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.793 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.415 HG11 ' HG3' ' A' ' 49' ' ' PRO . 20.6 m -111.12 145.91 33.44 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.323 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -101.6 166.14 0.33 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.159 2.572 . . . . 0.0 112.275 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.72 142.68 88.73 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.421 ' HG3' HG11 ' A' ' 46' ' ' VAL . 39.7 Cg_endo -67.15 -45.43 3.91 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.389 2.06 . . . . 0.0 112.551 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -149.19 156.15 41.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.21 136.99 56.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . 0.569 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . -169.12 -168.91 31.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.525 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.529 HG22 ' HG3' ' A' ' 64' ' ' LYS . 24.2 t -129.7 146.57 33.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 111.467 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.621 HG11 ' H ' ' A' ' 62' ' ' GLY . 70.6 t -71.66 112.68 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -103.11 -39.68 6.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.064 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -149.48 134.18 17.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 57.0 tp -86.9 141.59 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.737 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -133.27 1.99 3.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.29 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 31.5 m -139.11 142.28 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 111.406 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.519 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.9 OUTLIER -103.1 149.64 24.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.763 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 42.2 t -65.38 125.86 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . 0.571 ' H ' HG11 ' A' ' 54' ' ' VAL . . . 91.98 3.1 68.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.077 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.24 121.01 34.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.31 . . . . 0.0 110.79 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.515 ' HG3' HG22 ' A' ' 53' ' ' VAL . 88.1 tttt -52.79 141.99 19.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.061 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.433 HG11 ' CZ ' ' A' ' 74' ' ' PHE . 5.6 p -108.74 162.04 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.07 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -144.16 150.72 38.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.905 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.3 m -64.54 121.03 13.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.78 -14.59 31.97 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.567 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 41.8 t -85.82 148.56 25.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.459 HD12 ' HB2' ' A' ' 45' ' ' GLU . 3.5 mm? -76.2 134.43 39.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.546 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.545 HG13 ' H ' ' B' ' 72' ' ' MET . 14.2 pt -109.12 -52.63 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.484 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.545 ' H ' HG13 ' B' ' 71' ' ' ILE . 25.4 mmt -149.12 155.58 40.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.899 0.38 . . . . 0.0 111.124 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.436 ' N ' HD12 ' B' ' 73' ' ' ILE . 4.2 mp -129.39 133.33 65.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.061 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.569 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 24.2 m-85 -125.09 135.56 52.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.609 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.616 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 33.1 tt0 -99.94 92.65 5.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.31 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.279 -179.795 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.618 ' HB3' ' HG3' ' B' ' 75' ' ' GLU . 82.3 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.518 0.199 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 94.9 mmm -148.29 123.7 10.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.87 0.367 . . . . 0.0 111.312 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.2 150.45 42.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.528 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.45 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 27.3 m -127.49 138.89 33.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.204 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 87.5 Cg_endo -101.84 168.8 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.314 2.676 . . . . 0.0 112.453 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.91 134.1 68.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -68.04 -44.53 3.76 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.318 2.012 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -145.29 142.58 29.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.72 141.63 37.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.579 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.16 -162.12 15.59 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.945 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 61.7 t -134.9 137.14 51.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.743 0.306 . . . . 0.0 110.501 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.69 106.13 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.016 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.93 -56.61 3.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.85 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -155.8 112.34 3.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.459 HD13 HG21 ' B' ' 61' ' ' VAL . 2.1 pt? -57.42 151.7 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -111.34 -22.6 11.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.91 144.27 35.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -97.72 145.99 25.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.455 HG21 HD13 ' B' ' 57' ' ' LEU . 41.1 t -62.33 127.74 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.99 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.28 -4.8 31.53 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.633 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -107.46 117.69 34.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.753 0.311 . . . . 0.0 111.085 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -51.19 153.97 1.8 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.8 p -111.1 161.67 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.204 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -141.68 139.41 32.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.659 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.4 m -58.25 126.19 26.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.7 -15.83 23.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.369 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -96.1 164.09 12.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 70' ' ' LEU . 7.5 mp -89.6 154.56 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.754 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.501 HG13 ' N ' ' A' ' 72' ' ' MET . 16.7 pt -122.76 -51.32 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.28 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.501 ' N ' HG13 ' A' ' 71' ' ' ILE . 72.0 mtm -150.8 163.22 39.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.888 0.375 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.1 mt -136.41 129.13 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.417 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -107.8 161.14 15.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.103 0.477 . . . . 0.0 111.597 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.48 ' HG3' ' HB3' ' B' ' 43' ' ' SER . 34.3 tt0 -135.6 92.28 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.741 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.197 -179.456 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.48 ' HB3' ' HG3' ' A' ' 75' ' ' GLU . 78.2 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.638 0.256 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 95.1 mmm -143.65 128.1 17.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.277 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.94 150.49 34.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.622 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.471 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.8 m -126.75 138.62 32.92 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.436 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 68.6 Cg_endo -101.66 171.6 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.225 2.616 . . . . 0.0 112.179 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.47 134.66 57.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.816 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.87 -42.95 3.9 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.375 2.05 . . . . 0.0 112.558 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -147.0 143.65 28.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.74 140.24 56.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.69 -157.57 10.08 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.651 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.3 t -135.73 139.0 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 111.006 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.2 t -72.47 106.0 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.045 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.75 -58.23 2.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -154.33 113.43 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.717 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.455 HD13 HG21 ' A' ' 61' ' ' VAL . 2.1 pt? -58.17 151.62 18.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -110.8 -23.12 11.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.81 143.45 38.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.195 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -96.74 146.96 24.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.756 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.459 HG21 HD13 ' A' ' 57' ' ' LEU . 44.1 t -63.68 127.64 24.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.062 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.77 -5.09 30.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -106.86 119.08 38.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.755 0.312 . . . . 0.0 110.763 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 24.7 pttm -52.31 153.92 2.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.07 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 p -109.81 163.07 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.095 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -144.27 139.01 28.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.707 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 28.6 m -57.87 127.3 31.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.84 -14.94 29.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.585 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.4 m -96.81 165.28 12.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.43 ' N ' HD12 ' B' ' 70' ' ' LEU . 7.6 mp -91.52 153.02 20.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.492 HG13 ' N ' ' B' ' 72' ' ' MET . 16.6 pt -121.48 -51.4 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.309 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.492 ' N ' HG13 ' B' ' 71' ' ' ILE . 73.5 mtm -151.17 163.27 39.22 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.008 0.432 . . . . 0.0 111.156 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.8 mt -135.7 133.79 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.182 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -113.36 160.23 18.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.823 0.344 . . . . 0.0 111.241 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.618 ' HG3' ' HB3' ' A' ' 43' ' ' SER . 25.7 tt0 -134.16 92.52 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.001 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 -179.506 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.493 ' HB3' ' HA ' ' B' ' 75' ' ' GLU . 83.1 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.715 0.293 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.7 ttm -156.12 128.08 7.44 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.953 0.406 . . . . 0.0 111.321 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -77.65 120.58 22.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.682 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.423 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 34.7 m -87.73 138.9 31.27 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.051 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.495 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 69.5 Cg_endo -101.87 173.64 0.25 Allowed 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.257 2.638 . . . . 0.0 112.443 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.64 129.04 56.43 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.58 -39.94 41.24 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.427 2.085 . . . . 0.0 112.46 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -146.62 148.53 32.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.026 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.37 163.15 8.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.22 -159.8 30.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.308 -0.948 . . . . 0.0 113.017 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.9 t -128.19 127.38 67.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.66 0.267 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.8 t -74.14 110.59 8.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -96.32 -53.71 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -160.55 131.44 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.005 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 59' ' ' VAL . 4.2 pp -74.83 -179.93 4.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.878 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -125.64 -20.58 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.811 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.416 ' O ' HD13 ' A' ' 57' ' ' LEU . 30.2 m -126.86 140.01 50.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.181 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.556 HD22 ' N ' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -90.99 150.84 21.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.6 t -59.03 121.85 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.23 -16.81 19.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.371 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -91.36 118.51 30.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -52.8 159.47 1.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 66' ' ' LYS . 9.9 p -118.27 159.3 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' N ' HG22 ' A' ' 65' ' ' VAL . 98.0 mttt -139.66 136.79 34.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.5 m -55.11 125.48 20.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.035 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.13 -15.41 20.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.285 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 65.2 m -97.02 169.22 9.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 110.677 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.505 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 3.4 mm? -95.94 158.67 15.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.7 pt -130.07 -29.27 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.351 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 54.0 tpp -159.7 153.63 23.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.426 HD12 ' N ' ' A' ' 73' ' ' ILE . 4.1 mp -131.44 129.34 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.615 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -109.75 148.48 31.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 111.853 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.415 ' HA ' ' HB3' ' B' ' 43' ' ' SER . 43.8 tt0 -121.17 92.64 3.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.916 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.373 -179.358 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.415 ' HB3' ' HA ' ' A' ' 75' ' ' GLU . 80.6 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.621 0.248 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 52.1 ttm -153.8 131.5 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.003 0.43 . . . . 0.0 111.254 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -81.0 121.62 26.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.649 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.451 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.5 m -87.89 138.5 31.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.318 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.505 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 63.5 Cg_endo -101.79 175.42 0.23 Allowed 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.301 2.667 . . . . 0.0 112.385 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.88 128.22 56.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.044 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -62.79 -38.68 47.26 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.392 2.061 . . . . 0.0 112.492 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -148.26 150.11 33.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.017 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.74 160.53 27.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.972 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.2 -152.34 14.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.95 132.68 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.9 t -78.52 110.61 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.999 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -96.33 -56.04 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -158.24 133.35 8.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.424 HD13 ' O ' ' B' ' 59' ' ' VAL . 4.3 pp -76.7 179.16 6.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.8 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -124.21 -21.86 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.968 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.424 ' O ' HD13 ' B' ' 57' ' ' LEU . 29.5 m -125.85 139.77 50.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.894 0.378 . . . . 0.0 111.404 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.543 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.9 OUTLIER -90.27 151.02 21.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.769 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 51.5 t -59.33 122.05 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.88 -19.92 15.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.421 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.32 122.34 31.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.778 0.323 . . . . 0.0 110.742 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -56.74 159.95 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.021 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.409 HG22 ' N ' ' B' ' 66' ' ' LYS . 7.0 p -117.23 161.75 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.409 ' N ' HG22 ' B' ' 65' ' ' VAL . 98.4 mttt -143.21 138.26 29.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 22.3 m -55.93 125.9 23.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.89 -16.82 20.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.321 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 49.3 m -96.01 168.56 10.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 110.844 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.495 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 3.4 mm? -95.8 159.24 15.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 40.3 pt -131.17 -27.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.366 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 54.2 tpp -163.25 151.73 14.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.025 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.446 HD12 ' N ' ' B' ' 73' ' ' ILE . 3.9 mp -128.41 136.1 60.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.204 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -117.67 142.86 46.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.832 0.348 . . . . 0.0 111.415 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.493 ' HA ' ' HB3' ' A' ' 43' ' ' SER . 41.4 tt0 -115.46 94.55 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.875 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.811 -178.619 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.688 0.28 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 49.3 tpp -132.47 119.4 20.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.847 0.356 . . . . 0.0 111.099 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.451 ' HG2' HG12 ' B' ' 73' ' ' ILE . 24.3 mt-10 -75.59 151.49 37.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.545 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.7 m -121.05 142.47 34.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.187 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 81.5 Cg_endo -101.68 145.26 0.26 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.232 2.622 . . . . 0.0 112.248 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.79 138.63 97.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.273 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.57 -39.8 8.65 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.435 2.09 . . . . 0.0 112.412 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -147.65 153.66 39.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.503 ' HA ' HG13 ' B' ' 65' ' ' VAL . . . -67.99 156.84 36.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . 168.69 171.47 34.53 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 120.132 -1.032 . . . . 0.0 113.41 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.0 t -97.87 132.07 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.988 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -74.33 127.9 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HD2' ' HB2' ' A' ' 75' ' ' GLU . 57.6 mtpt -103.72 -45.0 4.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.745 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.581 ' HG2' ' H ' ' A' ' 58' ' ' LYS . 34.9 tt0 -144.44 140.19 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 58' ' ' LYS . 2.8 pp -61.89 -33.57 74.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.038 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.582 ' HE3' ' HB2' ' A' ' 70' ' ' LEU . 10.0 tmtt? 74.26 -41.89 0.49 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.686 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.408 ' O ' HD13 ' A' ' 57' ' ' LEU . 35.6 m -132.84 149.01 31.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.827 0.346 . . . . 0.0 111.463 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -87.82 151.34 22.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.535 HG21 HD23 ' B' ' 57' ' ' LEU . 21.3 t -56.48 125.02 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.64 19.4 32.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -104.23 111.42 24.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -48.01 158.5 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.359 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.448 HG13 ' HA ' ' B' ' 51' ' ' ALA . 6.7 p -130.35 160.43 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.999 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -143.29 159.27 42.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.842 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.5 p -61.33 116.81 4.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.25 -1.58 35.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.552 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.2 t -98.33 130.96 44.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.737 0.303 . . . . 0.0 110.808 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.582 ' HB2' ' HE3' ' A' ' 58' ' ' LYS . 3.3 mm? -69.56 159.27 33.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.635 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 72' ' ' MET . 27.2 pt -134.12 -41.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.749 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.431 ' N ' HG13 ' A' ' 71' ' ' ILE . 62.9 mtt -145.09 158.43 43.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.032 0.444 . . . . 0.0 111.294 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.457 HG12 ' HG2' ' B' ' 45' ' ' GLU . 24.6 mt -132.57 122.43 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.163 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.463 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 82.1 m-85 -109.76 139.31 44.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.95 0.405 . . . . 0.0 111.802 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HB2' ' HD2' ' A' ' 55' ' ' LYS . 42.5 tt0 -84.33 92.71 8.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.602 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.349 -179.02 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.619 0.247 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 47.1 tpp -128.64 119.88 25.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.083 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.457 ' HG2' HG12 ' A' ' 73' ' ' ILE . 31.2 mt-10 -75.25 151.8 38.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.595 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.7 m -122.18 141.77 35.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.249 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 79.2 Cg_endo -101.16 147.74 0.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.082 2.521 . . . . 0.0 112.6 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.49 138.55 97.48 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.34 -38.18 9.1 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.373 2.049 . . . . 0.0 112.556 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -149.37 155.0 39.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.969 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.448 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -73.05 151.66 41.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.993 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . 0.456 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . 172.84 176.08 41.19 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.51 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.4 t -98.19 135.69 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.277 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.2 t -76.77 127.69 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.493 ' HD2' ' HB2' ' B' ' 75' ' ' GLU . 57.3 mtpt -104.8 -44.83 4.74 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.598 ' HG2' ' H ' ' B' ' 58' ' ' LYS . 34.3 tt0 -144.59 141.41 29.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.057 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.535 HD23 HG21 ' A' ' 61' ' ' VAL . 2.3 pp -63.08 -33.33 75.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . 0.598 ' H ' ' HG2' ' B' ' 56' ' ' GLU . 9.8 tmtt? 74.02 -41.6 0.49 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.471 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.1 m -132.68 149.28 31.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 111.5 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -88.14 151.59 22.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.537 HG21 HD23 ' A' ' 57' ' ' LEU . 21.1 t -57.61 124.3 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.221 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.95 16.15 36.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -101.36 117.16 34.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.7 0.286 . . . . 0.0 110.729 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -53.07 160.96 0.9 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.503 HG13 ' HA ' ' A' ' 51' ' ' ALA . 4.4 p -131.68 159.76 42.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.99 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -144.66 159.59 42.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.087 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 74.5 p -61.09 117.68 5.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.191 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.28 -2.14 37.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.559 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 41.3 t -98.39 130.47 45.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.827 0.346 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.583 ' HB2' ' HE3' ' B' ' 58' ' ' LYS . 3.3 mm? -69.27 159.37 33.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.586 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.4 HG13 ' N ' ' B' ' 72' ' ' MET . 29.1 pt -134.52 -39.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.667 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.4 ' N ' HG13 ' B' ' 71' ' ' ILE . 63.0 mtt -147.07 158.19 43.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.015 0.436 . . . . 0.0 111.499 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.451 HG12 ' HG2' ' A' ' 45' ' ' GLU . 17.1 mt -132.01 124.91 53.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.843 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.456 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 66.2 m-85 -112.55 136.34 52.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 111.489 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.493 ' HB2' ' HD2' ' B' ' 55' ' ' LYS . 40.3 tt0 -80.95 92.13 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.879 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.243 -179.579 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.0 ttm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.7 t -122.62 139.76 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? 64.44 117.52 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.076 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -56.1 146.05 24.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -153.2 152.96 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -61.86 158.61 15.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.975 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.2 m -76.01 152.37 84.41 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.186 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.82 148.8 86.83 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.624 2.216 . . . . 0.0 112.374 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -62.71 -36.07 81.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.744 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.2 pt -129.36 147.71 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.9 p -150.99 -18.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.47 156.46 13.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.074 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.0 m -125.19 165.37 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.7 t -140.65 157.52 45.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.81 6.86 5.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.808 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.7 t -70.0 -58.77 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.198 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 94.0 mmm 58.17 -171.15 0.11 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.6 m -82.73 164.9 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.007 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -123.41 7.06 8.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.777 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -87.93 -31.71 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.29 8.63 77.3 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.657 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.5 148.1 49.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 111.154 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -139.65 128.3 23.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.75 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 m -134.07 -20.23 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.284 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.99 102.47 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -170.21 149.92 3.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 57.63 -160.94 0.23 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.988 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 62.59 19.44 11.29 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.169 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.7 p -156.49 -75.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.088 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 34' ' ' LEU . 8.1 mp 61.32 162.96 0.07 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.131 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.2 mt 58.99 101.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.46 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.9 p -121.36 177.24 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.032 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.9 t -107.44 -79.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -139.29 -71.56 0.4 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 156.64 169.48 20.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.577 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -161.74 153.08 18.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.733 0.302 . . . . 0.0 110.767 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -55.47 -84.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -164.19 -98.59 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 120.758 0.313 . . . . 0.0 110.896 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 84.4 p -58.8 133.01 55.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.82 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.3 ttp -152.46 120.43 6.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.88 0.372 . . . . 0.0 111.174 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.553 ' HB3' HD23 ' B' ' 70' ' ' LEU . 26.3 mt-10 -68.81 152.01 45.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.834 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.54 143.45 48.38 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.185 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 65.7 Cg_endo -101.93 165.32 0.32 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.22 2.613 . . . . 0.0 112.491 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.03 143.46 61.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.071 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.74 -43.1 2.87 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.518 2.145 . . . . 0.0 112.566 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -149.37 158.41 44.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.0 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.86 140.25 57.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.409 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.02 -165.97 23.21 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.059 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.472 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 61.8 t -134.28 131.45 55.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.727 0.299 . . . . 0.0 110.465 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.519 HG11 ' HA ' ' B' ' 61' ' ' VAL . 90.6 t -71.49 100.64 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.812 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -93.13 -40.51 10.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -149.71 127.02 11.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.899 0.38 . . . . 0.0 111.319 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.4 tp -83.34 150.17 26.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.58 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -113.96 -37.05 4.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.468 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.7 m -118.4 139.95 43.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.898 0.38 . . . . 0.0 111.306 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.555 ' N ' HD22 ' A' ' 60' ' ' ASN . 0.9 OUTLIER -100.88 151.51 21.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.025 -179.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.487 ' HA ' HG11 ' B' ' 54' ' ' VAL . 60.8 t -52.34 135.12 13.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.057 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.54 -11.42 61.33 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.351 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -95.99 106.61 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.734 0.302 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' B' ' 53' ' ' VAL . 19.2 ptpt -51.92 151.71 3.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.407 HG22 ' N ' ' A' ' 66' ' ' LYS . 8.0 p -109.17 163.03 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.938 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.407 ' N ' HG22 ' A' ' 65' ' ' VAL . 67.7 mttm -138.28 147.82 44.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.874 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.3 m -66.74 122.92 18.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.092 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.41 -15.53 22.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.615 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.0 p -96.1 175.66 6.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' B' ' 45' ' ' GLU . 5.0 mp -100.63 168.76 9.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.645 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.461 HG13 ' H ' ' A' ' 72' ' ' MET . 12.8 pt -133.3 -50.35 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.673 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.461 ' H ' HG13 ' A' ' 71' ' ' ILE . 72.9 mtm -148.35 168.68 21.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.834 0.35 . . . . 0.0 111.041 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.1 mt -135.49 129.31 49.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -109.27 161.07 15.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.368 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 1.0 OUTLIER -133.56 92.58 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.008 179.243 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 p -90.28 120.71 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.231 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -126.65 97.84 5.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 55.56 -129.42 46.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.574 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.17 146.85 30.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 111.074 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.07 146.92 98.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 110.94 2.69 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.325 2.016 . . . . 0.0 112.301 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.03 111.92 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.4 -55.85 0.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.58 ' HB3' ' HD3' ' A' ' 85' ' ' PRO . . . -167.29 -50.28 0.0 OUTLIER Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.755 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 84' ' ' ALA . 54.5 Cg_exo -52.57 134.74 53.9 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.125 1.883 . . . . 0.0 112.421 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -148.17 -41.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.267 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -137.28 112.42 9.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.995 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -160.12 169.67 22.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.914 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.5 mtt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.9 m -99.08 4.35 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -75.16 159.31 31.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -71.1 -11.54 61.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.5 t -107.73 114.95 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -147.34 143.92 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' B' ' 8' ' ' PRO . 35.6 m -100.27 144.81 29.13 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.07 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 7' ' ' VAL . 14.1 Cg_exo -69.45 163.4 38.17 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.64 2.227 . . . . 0.0 112.377 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -123.82 -35.25 2.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.545 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.584 HG23 HG12 ' B' ' 15' ' ' VAL . 15.9 tt -166.38 -24.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.533 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.71 HG22 ' H ' ' B' ' 17' ' ' VAL . 7.1 p -159.43 126.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.809 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -89.87 -1.18 57.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.987 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.71 ' H ' HG22 ' B' ' 15' ' ' VAL . 50.9 t 60.95 95.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.362 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 80.5 m -156.93 101.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.713 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 59.87 15.43 4.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.808 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -85.0 139.39 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.117 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 25.9 ttt -165.36 -40.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.7 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 15.0 p -111.83 -28.76 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt 56.54 94.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 t -96.08 -78.45 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.311 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.12 -139.58 47.78 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.355 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -112.17 120.72 42.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -152.65 105.37 2.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 59.9 t -81.65 -72.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.039 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 60.98 173.54 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.408 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.55 138.19 58.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.64 137.0 45.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -120.15 -5.6 9.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.067 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 78.8 p -97.44 156.89 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.003 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.467 ' N ' HD12 ' B' ' 34' ' ' LEU . 6.7 mp -77.51 -22.55 51.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.685 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 43.2 mt 61.03 92.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.576 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . 0.407 HG22 HG13 ' B' ' 37' ' ' VAL . 27.9 m 52.82 -91.67 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.803 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.407 HG13 HG22 ' B' ' 36' ' ' THR . 27.4 m -92.38 -176.3 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.859 0.362 . . . . 0.0 111.299 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.32 154.01 41.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.058 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -103.22 -69.39 0.81 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.406 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -145.18 119.76 9.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.736 0.303 . . . . 0.0 110.812 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -170.12 89.94 0.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.752 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.61 -92.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 79.2 p -68.15 127.4 32.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 57.4 ttp -143.11 124.99 15.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.531 ' HB3' HD23 ' A' ' 70' ' ' LEU . 32.3 mt-10 -71.89 152.34 42.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.642 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 34.8 m -128.67 142.54 45.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.378 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.511 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 93.6 Cg_endo -101.35 168.18 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.253 2.635 . . . . 0.0 112.416 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.32 142.96 51.24 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.41 -43.9 2.65 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.324 2.016 . . . . 0.0 112.382 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -148.74 161.23 42.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.35 137.72 44.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -164.66 -161.21 13.22 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 57.0 t -134.38 133.76 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.729 0.299 . . . . 0.0 111.043 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.487 HG11 ' HA ' ' A' ' 61' ' ' VAL . 95.7 t -72.01 101.24 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.819 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -94.23 -39.0 10.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.389 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -151.61 126.53 9.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 111.3 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 57.4 tp -82.61 151.31 26.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.526 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.437 ' HE2' ' HB2' ' B' ' 70' ' ' LEU . 64.2 tttp -115.22 -36.68 4.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.435 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.4 m -118.64 139.5 45.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.859 0.361 . . . . 0.0 111.266 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.534 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.9 OUTLIER -100.45 151.48 21.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.015 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.519 ' HA ' HG11 ' A' ' 54' ' ' VAL . 62.1 t -52.82 136.34 13.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.016 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.2 -13.99 61.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.205 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.98 110.45 22.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.311 . . . . 0.0 110.673 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 19.1 ptpt -55.55 152.78 8.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.269 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.432 HG22 ' H ' ' B' ' 66' ' ' LYS . 4.3 p -108.31 166.07 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.799 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.432 ' H ' HG22 ' B' ' 65' ' ' VAL . 67.8 mttm -142.87 147.99 36.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.954 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.3 m -67.03 122.96 18.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.89 -18.21 19.49 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.468 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 91.6 p -93.89 174.92 6.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.99 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.553 HD23 ' HB3' ' A' ' 45' ' ' GLU . 4.9 mp -100.66 168.85 9.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.553 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.474 HG13 ' H ' ' B' ' 72' ' ' MET . 13.7 pt -133.37 -50.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.644 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.474 ' H ' HG13 ' B' ' 71' ' ' ILE . 73.4 mtm -148.52 168.31 23.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.931 0.396 . . . . 0.0 111.154 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 27.2 mt -134.3 135.03 54.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.34 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 43' ' ' SER . 56.9 m-85 -116.63 158.16 24.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.796 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 1.1 tm-20 -129.51 94.8 3.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.244 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p -90.96 118.17 35.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.402 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -124.61 104.69 8.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.721 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -103.04 -13.53 28.9 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.752 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.69 138.29 33.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.06 152.27 84.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.96 128.36 13.95 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.345 2.03 . . . . 0.0 112.301 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.68 110.43 10.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.974 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.77 -83.77 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.297 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . 56.22 85.91 0.18 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -57.64 153.98 39.44 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.552 2.168 . . . . 0.0 112.334 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.71 169.67 9.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.172 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -119.39 128.17 53.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -145.02 -33.2 0.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.864 179.831 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p -164.8 -27.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -66.19 120.49 13.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -126.66 -55.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.757 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.9 m -105.12 154.45 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.189 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -101.6 -0.2 35.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.754 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.11 129.89 28.52 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.74 154.16 59.15 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.354 2.036 . . . . 0.0 112.439 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -155.38 156.16 34.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.462 HG22 HG13 ' A' ' 15' ' ' VAL . 61.2 mt -97.88 -48.29 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.046 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.462 HG13 HG22 ' A' ' 10' ' ' ILE . 29.4 m -138.26 149.75 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.264 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -115.0 105.59 13.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.3 m -88.53 174.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.163 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.7 p -134.9 -1.92 2.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 59.45 19.14 7.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.367 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.9 m -69.58 -179.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.5 ptp -85.95 -4.58 59.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.065 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.9 t 60.88 100.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -64.89 167.82 7.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.0 -33.0 34.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.192 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.27 42.13 43.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.527 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -90.44 111.88 23.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -141.51 -26.88 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.03 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.6 t -79.95 95.69 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -167.89 167.92 12.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.37 -63.7 1.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.025 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -106.76 164.41 12.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.582 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.507 ' NE2' ' H ' ' A' ' 32' ' ' GLN . 1.9 mp0 -79.77 -76.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.953 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.9 m 56.96 95.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.77 9.11 31.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.1 tt -101.49 -29.88 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.087 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.4 p -83.58 -38.05 22.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.8 t -115.2 99.15 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -85.76 -39.91 16.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 160.42 -90.91 0.11 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.555 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -77.37 149.34 35.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 111.062 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -105.05 -172.06 2.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.771 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -159.64 147.59 17.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.3 p -138.55 146.62 42.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.754 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 57.4 tpp -125.5 119.81 29.2 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.825 0.345 . . . . 0.0 111.345 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.578 ' HG2' HG12 ' B' ' 73' ' ' ILE . 30.5 mt-10 -78.12 146.62 35.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.592 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.19 142.25 44.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -101.83 151.64 0.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.156 2.571 . . . . 0.0 112.493 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.54 145.97 94.34 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.43 -44.34 0.8 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.507 2.138 . . . . 0.0 112.616 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -148.7 161.03 42.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.184 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 149.7 44.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.575 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' O ' HG12 ' B' ' 65' ' ' VAL . . . -175.74 173.39 46.22 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.819 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.3 t -115.98 127.24 73.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.677 0.275 . . . . 0.0 110.301 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.469 HG11 ' HA ' ' B' ' 61' ' ' VAL . 98.7 t -71.62 106.41 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.986 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -104.12 -32.67 9.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.702 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -157.29 124.02 5.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.558 ' HB2' HG22 ' B' ' 61' ' ' VAL . 33.1 tp -82.77 149.73 27.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.583 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -98.12 -47.18 5.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.198 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.56 139.74 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.944 0.402 . . . . 0.0 111.446 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -106.36 151.73 24.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.732 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.566 HG22 ' HB2' ' B' ' 57' ' ' LEU . 33.2 t -45.93 127.37 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.16 13.89 21.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -123.69 105.95 10.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.253 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -50.32 142.43 10.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.946 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 p -109.95 152.32 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.289 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -137.88 141.35 40.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.494 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 m -52.96 120.88 6.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.264 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.26 -13.37 21.36 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.731 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.2 p -93.81 164.6 13.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.77 0.319 . . . . 0.0 110.795 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.2 mt -86.76 165.0 16.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 72' ' ' MET . 24.6 pt -132.3 -44.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.545 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.472 ' N ' HG13 ' A' ' 71' ' ' ILE . 8.8 ptm -167.44 160.74 13.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.653 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.597 HG12 ' HG2' ' B' ' 45' ' ' GLU . 3.9 mp -131.28 135.65 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.47 ' CZ ' HG11 ' B' ' 65' ' ' VAL . 29.9 m-85 -111.39 160.94 16.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.994 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -94.99 93.13 7.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p -105.38 117.28 50.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -69.73 107.87 3.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.806 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.81 -112.87 0.55 Allowed Glycine 0 C--N 1.329 0.192 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.18 131.27 44.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.874 0.368 . . . . 0.0 111.138 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.83 148.04 37.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.36 -172.23 0.73 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.356 2.037 . . . . 0.0 112.343 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -106.81 106.42 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.23 158.52 36.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.207 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.65 151.15 37.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.42 162.35 14.93 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.619 2.213 . . . . 0.0 112.279 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 58.61 -171.45 0.11 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.232 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 4.0 mptp? 58.24 -171.77 0.1 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -111.33 -54.06 2.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.84 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.9 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mtp . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.754 0.311 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 17.1 m -140.7 -29.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.233 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -77.61 -72.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.033 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.464 ' H ' ' CD ' ' B' ' 4' ' ' GLU . 0.0 OUTLIER -78.2 154.56 30.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.845 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.502 HG22 ' H ' ' B' ' 7' ' ' VAL . 9.7 p -147.73 138.46 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.003 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -93.48 -20.8 19.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.781 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.502 ' H ' HG22 ' B' ' 5' ' ' VAL . 61.1 t -64.27 129.63 94.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.73 149.37 77.6 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.432 2.088 . . . . 0.0 112.307 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -100.65 118.44 36.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.544 HG22 HG23 ' B' ' 15' ' ' VAL . 60.8 mt 62.7 112.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.241 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.544 HG23 HG22 ' B' ' 10' ' ' ILE . 46.8 t 65.66 133.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.172 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -161.27 -0.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.164 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.416 HG13 HG22 ' B' ' 18' ' ' THR . 5.5 p -92.27 -44.89 14.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.244 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.428 HG23 ' N ' ' B' ' 19' ' ' GLU . 3.3 t -171.85 -49.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.321 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.428 ' N ' HG23 ' B' ' 18' ' ' THR . 40.5 tt0 -172.72 -62.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.689 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -159.77 143.6 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 27.9 ttt -139.74 111.22 7.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.4 137.11 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -167.37 -25.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 p -130.61 145.47 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.88 68.47 0.14 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.454 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -101.38 159.31 15.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 111.005 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -65.54 -51.62 58.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 52.8 t -81.16 108.86 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.141 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.15 -34.26 63.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.012 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.22 95.12 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.425 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -117.31 174.64 6.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -102.46 110.17 22.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.74 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 78.5 p -98.69 9.17 43.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.2 mt -84.56 118.24 24.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.735 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.486 HG13 HG23 ' B' ' 36' ' ' THR . 46.8 pt -89.48 0.49 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.31 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . 0.486 HG23 HG13 ' B' ' 35' ' ' ILE . 67.3 p -124.29 157.39 35.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.338 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 35.4 m -110.5 164.02 6.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.06 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 60.04 99.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.057 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.0 -155.84 8.71 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -105.69 142.97 34.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -159.44 33.91 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.737 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -165.1 131.68 2.86 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.1 p -132.34 142.17 49.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.982 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 54.4 tpp -118.33 123.13 44.57 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.597 ' HG2' HG12 ' A' ' 73' ' ' ILE . 33.3 mt-10 -80.7 147.68 30.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.579 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 24.6 m -130.53 141.67 42.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.368 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 66.1 Cg_endo -101.59 153.14 0.35 Allowed 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.281 2.654 . . . . 0.0 112.5 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.55 146.34 96.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.23 -43.21 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.43 2.087 . . . . 0.0 112.532 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -149.64 165.17 33.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.33 151.17 42.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.326 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.35 -179.07 48.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.26 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 41.6 t -116.97 133.65 63.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.938 0.399 . . . . 0.0 111.37 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.477 HG11 ' HA ' ' A' ' 61' ' ' VAL . 78.2 t -74.87 106.68 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -104.44 -33.8 8.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -156.26 125.87 6.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.073 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.566 ' HB2' HG22 ' A' ' 61' ' ' VAL . 31.7 tp -84.41 149.45 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.571 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -97.93 -47.27 5.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.284 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.54 139.76 44.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.907 0.384 . . . . 0.0 111.525 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -106.77 151.86 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.714 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.558 HG22 ' HB2' ' A' ' 57' ' ' LEU . 38.8 t -46.51 126.33 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.33 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.05 11.94 23.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.302 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -122.03 110.73 16.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -55.29 143.05 29.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.47 HG11 ' CZ ' ' A' ' 74' ' ' PHE . 8.5 p -109.05 153.81 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.306 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -140.29 143.01 35.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.54 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 8.6 m -54.45 119.99 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.405 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.24 -12.27 21.78 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.656 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 90.7 p -94.91 163.36 13.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.731 0.3 . . . . 0.0 110.821 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 70.8 mt -86.4 164.89 16.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.458 HG13 ' N ' ' B' ' 72' ' ' MET . 23.9 pt -132.12 -43.52 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.318 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.458 ' N ' HG13 ' B' ' 71' ' ' ILE . 8.9 ptm -168.59 161.98 11.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.787 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.578 HG12 ' HG2' ' A' ' 45' ' ' GLU . 3.7 mp -131.33 139.35 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.73 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -115.23 157.26 23.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.637 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -92.26 91.76 7.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.2 p -102.76 118.64 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.076 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.06 127.08 31.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -155.52 -177.37 28.7 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.394 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.68 140.76 51.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.83 0.348 . . . . 0.0 111.249 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.82 141.15 86.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.98 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.55 114.85 4.06 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.332 2.022 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.04 -68.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.997 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 59.04 16.01 4.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.405 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -164.85 149.5 8.11 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.201 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -79.89 177.2 8.61 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.594 2.196 . . . . 0.0 112.456 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -159.98 -61.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.023 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt 59.22 98.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.239 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -122.51 -29.86 4.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.753 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.909 179.852 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.0 m -139.35 157.18 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.066 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -72.97 154.57 40.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.724 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 59.67 98.12 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.007 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -163.12 -10.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -63.47 -12.7 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 38.8 t -62.78 132.02 94.59 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 38.7 Cg_exo -60.7 161.17 22.12 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.411 2.074 . . . . 0.0 112.297 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -104.71 121.32 43.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.34 4.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.7 m -63.94 169.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.208 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.74 120.18 12.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.4 m -88.03 148.07 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.8 p -106.65 130.87 54.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.328 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -161.37 124.78 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.771 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG22 ' HG2' ' A' ' 21' ' ' MET . 14.0 p -167.57 154.44 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.158 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.473 ' HG2' HG22 ' A' ' 20' ' ' VAL . 89.6 mmm 61.72 16.57 7.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.42 HG12 ' HG3' ' A' ' 23' ' ' LYS . 99.9 t -133.14 117.5 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.97 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HG3' HG12 ' A' ' 22' ' ' VAL . 52.8 mtmt 59.07 94.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.3 m -126.14 -14.26 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.072 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.46 0.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.616 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.16 108.6 10.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.734 0.302 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -104.09 13.5 32.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.7 t 63.45 -82.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.279 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.9 112.92 20.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 111.328 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.8 156.97 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.821 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -150.82 107.69 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.067 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -132.54 -61.9 0.84 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.79 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.2 p -85.28 169.14 14.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.807 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.1 mt -115.96 144.74 43.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.979 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.514 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.7 mp -86.11 123.89 39.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.8 p -65.08 128.95 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.05 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.6 m -73.74 167.12 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.007 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.78 24.09 1.84 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.035 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.81 129.09 47.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.407 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -132.67 152.75 51.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 111.222 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 63.93 -78.68 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.448 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.526 ' O ' ' HA ' ' B' ' 75' ' ' GLU . . . 68.33 3.71 3.86 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.774 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.2 t -143.7 134.59 25.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.755 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.4 tpt -135.96 118.62 16.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.062 0.458 . . . . 0.0 110.923 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.568 ' HG2' HD12 ' B' ' 73' ' ' ILE . 31.6 mt-10 -80.51 149.47 30.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.895 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.429 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 34.4 m -132.28 136.57 28.3 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.004 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 69.1 Cg_endo -101.81 148.23 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 123.143 2.562 . . . . 0.0 112.527 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.83 139.74 86.52 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.95 -41.27 5.53 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.416 2.077 . . . . 0.0 112.556 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -150.39 154.34 37.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.108 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.423 ' HA ' HG13 ' B' ' 65' ' ' VAL . . . -65.98 157.24 31.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.391 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . 170.24 168.17 31.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 119.998 -1.096 . . . . 0.0 113.381 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.0 t -97.72 139.01 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.732 0.301 . . . . 0.0 110.981 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -71.81 114.56 10.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.897 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -82.76 -52.04 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.527 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -166.52 142.78 4.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.8 tp -74.2 146.56 43.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.128 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -116.0 -34.5 4.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.8 m -118.7 139.87 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.942 0.401 . . . . 0.0 111.509 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.544 ' N ' HD22 ' A' ' 60' ' ' ASN . 0.9 OUTLIER -91.53 150.8 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.781 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.6 t -60.84 128.84 22.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.28 1.18 47.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -106.41 117.43 34.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.816 0.341 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -51.46 167.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.438 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 p -127.44 160.47 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.925 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -142.25 149.96 40.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p -58.26 121.26 10.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.6 -9.68 30.33 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.653 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.5 t -97.91 132.68 43.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 111.037 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.1 mt -72.17 163.85 27.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.591 HG13 ' H ' ' A' ' 72' ' ' MET . 10.4 pt -126.2 -55.99 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.448 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.591 ' H ' HG13 ' A' ' 71' ' ' ILE . 67.1 mtt -149.14 146.05 27.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.753 0.311 . . . . 0.0 110.726 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.569 HD12 ' HG2' ' B' ' 45' ' ' GLU . 6.9 mm -111.72 130.75 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.647 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.548 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 73.3 m-85 -106.2 157.78 17.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.138 0.494 . . . . 0.0 111.917 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' B' ' 42' ' ' ALA . 35.7 tt0 -106.46 108.57 20.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.364 178.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' B' ' 42' ' ' ALA . 3.4 p -121.14 118.67 56.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.024 0.44 . . . . 0.0 111.463 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -100.23 121.3 41.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.65 48.86 0.12 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.646 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -121.39 153.81 37.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.74 0.305 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . . . -89.98 141.86 28.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 38.7 Cg_exo -60.98 145.42 99.14 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.446 2.097 . . . . 0.0 112.234 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.19 -51.59 0.18 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.76 149.51 25.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.96 152.11 84.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.027 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.3 174.63 10.5 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.454 2.102 . . . . 0.0 112.278 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.8 -172.43 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.8 OUTLIER -80.6 156.88 26.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.765 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -64.37 151.81 43.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.81 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.925 179.909 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.9 ttp . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.759 0.314 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.3 m -85.14 162.65 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 164.34 26.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -112.69 -49.62 2.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.675 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 27.1 m -88.16 165.23 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.203 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . 0.681 HD22 ' H ' ' B' ' 6' ' ' ASN . 0.1 OUTLIER -88.81 155.44 19.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.086 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 30.2 m -138.15 154.29 73.93 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.15 162.0 31.52 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.402 2.068 . . . . 0.0 112.335 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -160.09 -0.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 46.9 mm -89.65 143.18 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 40.6 t -63.24 129.83 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -110.55 -43.67 3.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.007 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.57 141.77 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 77.3 p -116.7 -179.65 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -86.47 132.41 33.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.781 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 p -136.78 -31.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.156 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 24.1 mmt -88.86 141.32 28.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.9 t 64.12 114.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.553 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -127.84 145.89 50.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.831 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 56.7 t -92.23 -65.19 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.43 170.19 17.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -136.35 129.09 30.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.964 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -103.25 161.13 14.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -119.81 -70.44 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.857 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 53.76 90.06 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.323 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.11 -65.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.03 -66.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -108.46 126.33 52.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 66.5 m -146.19 -49.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.802 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.475 HD23 ' N ' ' B' ' 34' ' ' LEU . 2.5 pt? -163.69 139.68 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 40.2 pt -126.43 -3.01 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 38.5 m -114.77 125.36 53.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 27.4 m -109.15 170.58 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.73 -179.09 5.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.773 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.72 -133.03 7.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.723 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -124.41 114.01 18.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.849 0.357 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -164.46 -28.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' A' ' 76' ' ' VAL . . . -93.4 -7.77 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.522 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 41.5 t -135.74 128.64 31.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.062 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 16.9 tpt -127.17 121.45 31.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.569 ' HG2' HD12 ' A' ' 73' ' ' ILE . 34.1 mt-10 -83.72 147.22 27.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.731 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.445 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.8 m -128.58 135.77 28.1 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.312 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 64.9 Cg_endo -101.66 150.49 0.32 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.219 2.613 . . . . 0.0 112.402 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.61 139.01 92.96 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.96 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -68.72 -41.65 5.65 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.285 1.99 . . . . 0.0 112.444 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -150.26 158.53 44.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.05 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.22 153.74 39.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.48 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . 171.87 173.7 38.87 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.498 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 25.1 t -98.23 143.27 13.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.963 0.411 . . . . 0.0 111.488 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 52.7 t -74.87 114.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.012 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -83.21 -52.15 6.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -165.48 147.26 7.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 56.3 tp -78.87 145.51 34.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.049 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -114.97 -34.61 5.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 31.1 m -118.83 139.97 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.443 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.547 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.9 OUTLIER -91.97 151.0 20.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 41.4 t -61.27 129.27 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.011 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.6 -3.32 42.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.544 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -102.56 123.26 45.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.707 0.289 . . . . 0.0 110.803 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -56.92 170.07 0.46 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.295 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' A' ' 51' ' ' ALA . 4.3 p -128.32 161.28 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.027 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -144.6 150.76 37.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.021 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 68.5 p -59.24 121.35 11.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.311 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.13 -9.16 31.35 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.492 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 39.1 t -98.36 131.87 44.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 67.5 mt -72.13 164.23 26.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.561 HG13 ' H ' ' B' ' 72' ' ' MET . 10.2 pt -127.01 -55.34 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.602 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.561 ' H ' HG13 ' B' ' 71' ' ' ILE . 66.3 mtt -150.25 144.6 25.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.041 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.568 HD12 ' HG2' ' A' ' 45' ' ' GLU . 4.4 mm -110.22 136.48 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.225 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.48 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 68.5 m-85 -112.66 155.67 24.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 111.453 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.526 ' HA ' ' O ' ' A' ' 42' ' ' ALA . 23.9 tt0 -104.32 100.16 9.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.333 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.98 118.92 58.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.36 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -99.31 124.44 44.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.56 128.2 0.5 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.611 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.3 148.11 33.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.07 145.94 37.36 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.16 119.54 6.08 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.428 2.086 . . . . 0.0 112.508 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . 57.33 -171.25 0.09 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.348 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.37 -48.29 6.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.32 149.49 36.78 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.49 117.78 5.29 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.466 2.111 . . . . 0.0 112.308 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . 61.85 9.2 2.81 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.681 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 21.1 pttp 35.59 84.91 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.457 0.473 . . . . 0.0 111.945 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -69.42 108.63 3.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.858 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ptt? . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.892 0.377 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.78 -34.95 58.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.275 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt 59.56 -170.3 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -102.47 4.55 38.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.7 t -71.03 -23.57 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.062 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 59.44 -177.61 0.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.07 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.74 123.13 86.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -58.37 129.0 30.61 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.321 2.014 . . . . 0.0 111.97 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -116.61 -30.54 5.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.3 mm 61.83 -85.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.179 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.9 t 57.07 96.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.954 0.406 . . . . 0.0 111.169 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -153.91 -69.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.998 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.6 t -99.54 138.76 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.408 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -97.46 153.04 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.962 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.67 172.3 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.199 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.8 t -114.82 115.47 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.5 ttt -84.4 134.69 34.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.97 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.3 m -69.39 173.57 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -119.52 150.7 39.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.025 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.3 m -96.51 162.17 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.246 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.65 -101.63 2.7 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.423 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -101.48 121.99 42.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.341 . . . . 0.0 110.831 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -85.65 -75.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.9 m -144.51 -37.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.989 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -168.63 119.47 0.76 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.12 -54.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.332 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -99.47 136.27 39.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.061 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -153.43 137.79 16.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.4 p -149.88 174.72 12.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 tp -83.51 132.34 34.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.811 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.2 tt -76.24 145.1 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.96 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.3 p -126.37 115.04 19.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.6 m -133.85 177.13 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.128 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.58 174.99 11.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.003 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.22 135.04 0.55 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.703 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -98.95 132.99 43.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.946 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -133.87 -9.93 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.742 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.53 -87.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.997 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 79.6 p -58.3 124.88 20.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.0 tpp -146.4 119.83 9.04 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -73.6 156.72 37.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.409 HG11 ' HG3' ' B' ' 49' ' ' PRO . 35.4 m -132.17 150.51 76.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 66.1 Cg_endo -101.69 165.54 0.33 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.313 2.675 . . . . 0.0 112.38 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.39 145.53 59.78 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.847 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.46 ' HG3' HG11 ' B' ' 46' ' ' VAL . 44.3 Cg_endo -68.71 -51.81 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.4 2.067 . . . . 0.0 112.567 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -145.06 151.96 39.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.07 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.54 143.3 41.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.576 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -168.53 -167.93 29.87 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.305 -0.95 . . . . 0.0 113.227 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.509 HG13 ' HG2' ' B' ' 64' ' ' LYS . 59.8 t -134.8 128.23 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.714 0.292 . . . . 0.0 110.733 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.3 t -71.74 101.99 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.067 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -123.4 -33.03 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.01 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 73' ' ' ILE . 16.1 mm-40 -117.09 92.98 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.214 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.439 HD21 ' ND2' ' A' ' 60' ' ' ASN . 6.3 tt -69.36 142.06 54.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.802 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 70' ' ' LEU . 3.5 tmtp? -113.87 -46.09 3.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.723 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.426 HG12 ' H ' ' A' ' 60' ' ' ASN . 2.6 t -118.69 164.73 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.439 ' ND2' HD21 ' A' ' 57' ' ' LEU . 4.7 m120 -109.5 151.12 27.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.752 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.4 t -63.33 127.9 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.098 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.45 ' H ' HG11 ' B' ' 54' ' ' VAL . . . 101.43 3.81 53.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.437 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -104.7 123.43 47.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.063 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.514 ' HG2' HG13 ' B' ' 53' ' ' VAL . 96.3 mttt -51.45 151.3 3.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.18 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 p -114.3 157.56 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -140.47 133.87 29.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.663 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.6 m -52.23 134.04 33.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.43 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.62 -18.27 50.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.558 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.0 m -95.53 153.93 17.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.77 0.319 . . . . 0.0 110.79 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.467 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 76.5 mt -80.38 158.84 25.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.537 HG13 ' H ' ' A' ' 72' ' ' MET . 12.6 pt -117.68 -52.67 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.537 ' H ' HG13 ' A' ' 71' ' ' ILE . 62.9 mtt -150.25 166.42 29.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.84 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' A' ' 56' ' ' GLU . 39.1 mt -128.36 130.58 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.743 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.576 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 49.8 m-85 -113.02 151.12 31.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.986 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.52 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 34.5 tt0 -119.57 92.23 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.916 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 p -84.75 117.44 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.675 ' HG3' ' H ' ' A' ' 79' ' ' ALA . 11.1 tp10 -88.94 131.95 34.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.552 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.17 -10.42 85.35 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.726 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.675 ' H ' ' HG3' ' A' ' 77' ' ' GLU . . . -60.41 143.45 53.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . . . -73.69 137.61 77.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 24.0 Cg_exo -64.1 -64.12 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.631 2.22 . . . . 0.0 112.1 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 64.12 -81.05 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.574 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.93 -10.98 54.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.39 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 54.41 84.95 0.2 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.222 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.83 154.63 48.64 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.41 2.073 . . . . 0.0 112.359 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -145.39 -50.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.821 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -102.18 102.67 13.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -139.04 4.66 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.017 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.822 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptt? . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.862 0.363 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -145.78 131.19 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.997 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -142.47 -46.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.99 116.93 15.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.685 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 13.1 p -104.16 145.26 13.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.28 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -142.11 107.44 5.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.694 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.3 p -128.65 130.35 23.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.78 129.73 34.93 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.406 2.07 . . . . 0.0 112.098 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -157.97 -54.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.038 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 52.2 mt -98.27 132.37 43.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.17 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 t -83.71 -29.08 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.745 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.29 160.56 26.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.71 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 m -81.55 77.01 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.152 0.501 . . . . 0.0 111.24 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 80.2 p -128.27 156.72 42.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.139 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -106.6 -55.58 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 47.5 t 63.44 116.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.512 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 26.3 ttt -138.39 112.86 8.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.6 t -109.66 135.28 49.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -159.58 -25.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.727 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 41.5 t -80.95 138.79 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.33 -131.44 3.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -116.71 177.24 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.924 0.392 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -98.11 178.0 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.756 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 15.8 m -66.04 163.61 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -140.2 13.83 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.486 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.51 112.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.922 0.391 . . . . 0.0 111.205 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -56.12 -74.54 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.153 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.514 ' H ' ' CD ' ' B' ' 32' ' ' GLN . 4.4 pm0 -64.99 124.79 22.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -169.23 102.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 71.2 mt 56.92 97.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.297 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 7.9 tp -140.16 -24.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 88.1 m -77.78 117.53 19.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 27.5 m -94.65 153.07 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -96.26 151.43 19.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.7 -102.02 2.04 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.433 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -147.0 116.41 7.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.999 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -162.96 85.22 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.801 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -171.24 -79.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.052 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 84.7 p -62.66 124.0 19.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.25 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 52.2 tpp -140.85 121.82 14.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.054 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -75.53 156.87 34.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.754 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.46 HG11 ' HG3' ' A' ' 49' ' ' PRO . 35.2 m -132.28 150.82 77.04 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.416 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.467 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 69.5 Cg_endo -101.74 167.97 0.31 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.323 2.682 . . . . 0.0 112.428 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.13 144.75 51.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.409 ' HG3' HG11 ' A' ' 46' ' ' VAL . 42.2 Cg_endo -68.68 -49.88 0.72 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.32 2.013 . . . . 0.0 112.705 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -147.27 153.23 39.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.86 142.23 57.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.595 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . -170.18 -164.39 25.82 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.676 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.514 HG13 ' HG2' ' A' ' 64' ' ' LYS . 60.1 t -133.71 134.03 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.34 . . . . 0.0 111.1 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.45 HG11 ' H ' ' A' ' 62' ' ' GLY . 69.6 t -75.41 101.79 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -123.13 -34.16 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.975 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.432 ' HB2' ' HB ' ' B' ' 73' ' ' ILE . 14.7 mm-40 -116.11 95.67 5.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.229 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.449 HD21 ' ND2' ' B' ' 60' ' ' ASN . 6.0 tt -71.35 143.19 50.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.429 ' NZ ' ' HB2' ' B' ' 70' ' ' LEU . 3.6 tmtp? -115.58 -46.25 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.777 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -118.44 162.67 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.449 ' ND2' HD21 ' B' ' 57' ' ' LEU . 4.6 m120 -107.94 151.23 26.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.25 126.99 22.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.24 1.02 47.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.578 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.09 128.06 48.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.984 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.509 ' HG2' HG13 ' A' ' 53' ' ' VAL . 96.2 mttt -56.21 150.61 13.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.1 p -112.02 160.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -143.87 135.37 25.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.885 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.3 m -53.56 132.88 41.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.359 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.91 -19.83 42.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 51.1 m -94.14 154.42 17.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.808 0.337 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 68.8 mt -81.56 158.37 24.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.756 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.52 HG13 ' H ' ' B' ' 72' ' ' MET . 12.9 pt -117.23 -52.14 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.215 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.52 ' H ' HG13 ' B' ' 71' ' ' ILE . 63.9 mtt -151.02 166.66 30.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.432 ' HB ' ' HB2' ' B' ' 56' ' ' GLU . 36.9 mt -127.43 135.72 62.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.503 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.595 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 41.6 m-85 -119.81 145.34 46.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.864 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.529 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 27.5 tt0 -114.42 93.21 4.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.351 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.2 p -83.96 117.67 29.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.308 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.523 ' HG3' ' H ' ' B' ' 79' ' ' ALA . 10.5 tp10 -89.7 143.77 26.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.59 -30.28 62.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.619 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.523 ' H ' ' HG3' ' B' ' 77' ' ' GLU . . . -65.84 154.97 37.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.771 0.32 . . . . 0.0 111.154 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.37 155.24 89.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.46 171.84 0.56 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.493 2.128 . . . . 0.0 112.367 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . 59.8 97.04 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.303 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.89 -24.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.167 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -116.68 91.67 35.37 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.62 -12.24 34.14 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.547 2.164 . . . . 0.0 112.283 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . 58.56 20.2 7.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.319 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 63.44 117.09 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 65.38 145.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.097 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.875 -179.876 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.2 mtp . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.821 0.343 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.59 137.11 54.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.76 -177.47 6.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -80.74 -30.59 36.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.2 t -131.32 111.3 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -150.12 162.73 39.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.029 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.26 132.56 87.91 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.7 155.05 72.28 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.242 1.961 . . . . 0.0 112.307 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.99 160.13 24.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.0 mt 65.62 127.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.418 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.0 m -93.25 142.17 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.069 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -118.2 -25.52 6.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.5 m -137.19 154.43 30.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.196 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.3 p -131.47 -31.49 1.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 63.05 120.37 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.226 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.4 t -102.44 128.59 55.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.214 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 53.0 ttm -139.8 119.48 13.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.26 135.51 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -109.06 150.01 28.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.703 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.5 m 41.1 -159.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 O-C-N 123.606 0.566 . . . . 0.0 111.854 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.26 -52.04 0.83 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.226 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.81 92.27 8.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.758 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -107.57 2.58 24.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.756 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.97 -43.26 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.24 108.46 19.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.023 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.96 7.75 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.984 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 43.09 -161.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.729 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -146.16 163.97 33.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.7 t -131.76 95.84 3.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -143.48 109.01 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.764 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.9 mm -111.77 102.72 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.2 t -156.9 -4.82 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 p -60.4 148.71 8.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -147.13 -52.84 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.37 115.44 4.18 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.553 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -114.02 136.28 53.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.626 0.251 . . . . 0.0 110.766 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' NZ ' ' HB2' ' A' ' 41' ' ' LYS . 4.1 ttmp? 57.73 89.67 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -127.08 -7.23 5.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.211 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.8 t -58.81 146.08 38.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.627 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 45.7 tpp -142.58 123.16 14.09 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.027 0.441 . . . . 0.0 111.336 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -78.12 136.25 37.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.847 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.435 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 35.3 m -115.06 141.34 26.84 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.071 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 73.6 Cg_endo -101.48 172.22 0.29 Allowed 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.299 2.666 . . . . 0.0 112.606 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.74 141.22 38.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.59 -44.98 1.86 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.536 2.157 . . . . 0.0 112.803 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -142.09 159.59 41.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.021 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.13 152.35 44.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.703 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.65 159.71 12.76 Favored Glycine 0 C--O 1.228 -0.277 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.803 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.614 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 17.2 m -97.17 139.56 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 120.97 0.414 . . . . 0.0 110.981 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.4 t -73.74 133.09 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -128.5 -48.67 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -135.73 108.13 7.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.149 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -75.03 177.75 6.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.728 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HG2' ' HB2' ' A' ' 70' ' ' LEU . 58.3 tptt -129.78 -38.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.777 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.21 143.33 32.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.549 ' N ' HD22 ' A' ' 60' ' ' ASN . 0.9 OUTLIER -96.9 150.92 20.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.699 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.427 HG21 HD13 ' B' ' 57' ' ' LEU . 41.0 t -56.99 130.19 19.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.8 -4.07 61.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.377 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -104.1 115.73 30.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.798 0.333 . . . . 0.0 111.184 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.663 ' HA ' ' HA ' ' B' ' 53' ' ' VAL . 22.5 ptmt -47.82 169.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.147 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.41 HG22 ' H ' ' A' ' 66' ' ' LYS . 5.2 p -135.12 164.96 32.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.645 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' H ' HG22 ' A' ' 65' ' ' VAL . 68.3 mttm -141.4 152.38 44.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 111.021 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.2 p -59.92 127.94 34.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.205 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.86 -3.77 62.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.598 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 t -101.85 137.35 40.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.461 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 85.0 mt -66.35 161.48 22.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.033 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.8 pt -128.27 -38.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.292 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.401 ' O ' HG22 ' B' ' 46' ' ' VAL . 56.0 ttm -164.89 158.37 17.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.878 0.371 . . . . 0.0 111.07 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.3 mt -129.15 129.83 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.437 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -101.34 126.5 48.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.907 0.384 . . . . 0.0 111.62 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -93.17 92.49 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.064 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.5 p -101.33 154.36 4.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.978 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -126.54 107.27 10.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.988 0.423 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -154.59 -38.19 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.343 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.57 127.56 37.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.747 0.308 . . . . 0.0 111.157 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.77 156.49 89.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.03 -9.94 21.18 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.436 2.091 . . . . 0.0 112.22 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.65 24.72 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.957 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.59 -88.27 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.416 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -104.75 145.05 29.97 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.085 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -79.22 153.29 24.46 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.423 2.082 . . . . 0.0 112.195 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.69 136.83 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.163 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -131.16 147.26 52.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -117.88 179.78 3.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.881 -179.836 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 75.0 mtm . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.889 0.376 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.609 HG13 ' HG3' ' B' ' 3' ' ' LYS . 7.2 p -89.51 -32.67 5.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.973 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.609 ' HG3' HG13 ' B' ' 2' ' ' VAL . 8.8 mtpm? -107.13 153.84 22.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.743 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -110.34 170.64 7.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.076 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.4 t -79.88 115.13 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 60.05 100.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.156 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -103.3 132.62 20.93 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.121 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.03 125.72 11.77 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.418 2.079 . . . . 0.0 112.25 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 58.38 -177.28 0.08 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 16.7 tt -149.48 144.38 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.13 138.17 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.013 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -130.4 124.56 32.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -125.65 170.55 15.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.33 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 49.6 p -72.89 152.05 41.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.101 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -110.32 111.04 22.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.018 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 m -96.27 -1.62 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -80.03 106.07 11.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.624 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 m -142.69 120.92 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.404 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt 57.55 -87.72 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.49 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -158.04 142.99 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.072 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -121.08 -19.97 3.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.603 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -137.8 113.79 9.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.674 0.273 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 62.36 106.21 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.279 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 37.5 t -81.03 -49.24 18.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.53 -33.51 3.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.748 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.1 18.23 6.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.372 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -92.72 173.83 7.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -144.56 -171.99 3.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 50.1 m -65.29 161.56 19.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.413 ' N ' HD12 ' B' ' 34' ' ' LEU . 6.5 mp -106.92 22.71 15.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.983 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 62.9 mt -61.15 113.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.205 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 76.4 m -91.91 130.94 37.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -121.08 -31.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -108.95 121.17 44.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.792 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.32 17.6 1.24 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.91 145.82 55.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.412 ' NZ ' ' HB2' ' B' ' 41' ' ' LYS . 0.2 OUTLIER -114.22 -2.13 13.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.499 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.6 -15.38 62.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.257 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 48.0 t -59.07 141.64 53.52 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.404 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 45.4 tpp -138.52 127.15 23.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.026 0.441 . . . . 0.0 111.326 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.63 136.31 35.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.453 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 34.7 m -113.57 140.67 24.83 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.18 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 68.5 Cg_endo -101.34 174.76 0.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.181 2.587 . . . . 0.0 112.438 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.64 140.09 33.51 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.16 -45.69 1.8 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.482 2.121 . . . . 0.0 112.58 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -141.84 162.42 35.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.976 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.92 149.9 39.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.969 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.8 161.45 17.44 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.149 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.663 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 7.6 m -97.32 143.02 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.007 0.432 . . . . 0.0 111.284 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.4 t -74.72 135.49 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.07 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -131.77 -49.12 0.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.101 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -135.64 109.18 7.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.427 HD13 HG21 ' A' ' 61' ' ' VAL . 2.3 pt? -76.46 178.71 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.711 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.404 ' HG2' ' HB2' ' B' ' 70' ' ' LEU . 59.0 tptt -130.39 -38.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.706 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.9 142.94 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.543 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.9 OUTLIER -96.6 151.04 19.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.795 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 42.5 t -56.94 130.37 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.68 -10.74 60.95 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -97.43 124.76 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.794 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.614 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 22.2 ptmt -55.93 174.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.73 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.1 p -137.64 165.05 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.334 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -144.26 152.67 41.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 0.0 111.015 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 75.1 p -59.79 128.98 39.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.317 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.21 -6.54 66.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.632 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 43.5 t -98.79 137.94 36.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 111.078 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.448 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 79.6 mt -68.24 161.09 27.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 29.4 pt -128.0 -36.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.502 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.422 ' O ' HG22 ' A' ' 46' ' ' VAL . 54.7 ttm -167.38 155.74 9.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.922 0.391 . . . . 0.0 111.217 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 38.6 mt -125.77 136.68 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.132 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -108.79 124.09 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 111.439 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -90.39 92.75 9.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.225 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 p -101.13 153.65 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.104 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -130.63 124.52 31.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 144.08 -104.33 0.33 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.581 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.04 148.4 26.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.729 0.299 . . . . 0.0 111.159 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' B' ' 81' ' ' PRO . . . -96.85 150.51 36.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 80' ' ' ALA . 25.1 Cg_exo -63.11 -60.29 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.591 2.194 . . . . 0.0 112.269 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.87 -177.41 5.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.078 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 58.29 17.3 4.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.336 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.56 ' HB3' ' HD3' ' B' ' 85' ' ' PRO . . . -63.52 -48.84 80.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.752 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' B' ' 84' ' ' ALA . 41.3 Cg_exo -57.61 -63.83 0.14 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.162 1.908 . . . . 0.0 112.189 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -150.31 169.41 21.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' B' ' 87' ' ' LYS . 0.5 OUTLIER -68.22 -69.55 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.776 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -156.47 -34.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.913 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.343 -0.836 . . . . 0.0 111.007 -179.901 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mtt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.861 0.362 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.7 p -167.46 -27.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -85.84 112.49 21.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.766 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -118.48 98.07 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.749 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.9 t -126.99 -41.26 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -74.09 111.69 9.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.723 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.07 148.69 60.96 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.291 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.16 162.3 20.27 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.531 2.154 . . . . 0.0 112.532 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -138.21 -34.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.577 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.1 mm -121.0 134.76 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.17 132.11 51.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -151.67 -58.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.4 p -109.89 133.12 56.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.3 p -139.01 -51.93 0.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 58.64 18.82 6.17 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.815 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.4 t 59.42 100.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.235 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 53.4 ttm -129.59 -39.27 1.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.2 m -92.71 132.59 36.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.226 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -88.32 133.33 34.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.755 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.32 -32.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.014 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.8 -171.33 34.47 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.345 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -75.56 151.91 37.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.695 0.283 . . . . 0.0 110.81 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 13.2 mptt -94.15 158.21 15.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.1 t 65.29 137.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.424 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -130.1 -54.75 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 58.19 97.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.221 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -89.2 -52.5 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -132.11 170.54 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.009 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t 61.49 104.48 0.02 OUTLIER 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.2 mm? -87.75 153.37 21.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.6 mm -117.21 -53.02 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.9 m -64.3 139.46 58.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 p -107.92 -22.5 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.181 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 60.39 -176.73 0.11 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -111.78 -69.84 0.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.316 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -66.16 145.75 55.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -139.54 3.06 2.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.617 ' HB1' HG13 ' B' ' 76' ' ' VAL . . . -100.37 -34.3 10.02 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.122 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.2 t -61.52 146.23 49.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.566 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 17.8 ttt -144.53 125.52 14.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.884 0.373 . . . . 0.0 111.422 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.512 ' HG2' HG12 ' B' ' 73' ' ' ILE . 25.8 mt-10 -76.46 99.33 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.451 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 31.8 m -72.07 130.9 85.91 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.302 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 69.3 Cg_endo -101.63 167.84 0.32 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.187 2.592 . . . . 0.0 112.467 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.93 140.08 77.15 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.27 -45.82 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.382 2.055 . . . . 0.0 112.646 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -143.8 156.53 44.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.979 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.61 155.84 38.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.795 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.77 -160.56 26.39 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.302 -0.952 . . . . 0.0 113.19 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.7 t -129.85 124.79 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.768 0.318 . . . . 0.0 110.59 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.51 100.71 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.152 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -79.58 -53.21 7.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.17 144.02 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.101 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -105.94 172.12 6.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.766 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -134.59 6.01 3.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.327 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.407 ' C ' HD22 ' A' ' 60' ' ' ASN . 27.5 m -118.68 140.37 42.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.939 0.399 . . . . 0.0 111.26 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.498 ' N ' HD22 ' A' ' 60' ' ' ASN . 0.9 OUTLIER -106.38 148.38 28.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.864 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.5 t -64.87 120.74 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.61 -14.04 17.78 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -92.67 117.92 30.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 111.029 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HB3' ' NZ ' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -53.79 158.6 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.232 179.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 66' ' ' LYS . 8.9 p -114.95 161.87 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.136 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' N ' HG22 ' A' ' 65' ' ' VAL . 37.3 mtmm -140.22 161.11 38.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.672 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.5 p -73.09 118.6 16.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.36 -2.61 28.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.593 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.2 p -101.63 131.57 47.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.348 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.453 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 74.3 mt -68.21 170.41 8.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.75 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.492 HG13 ' H ' ' A' ' 72' ' ' MET . 14.6 pt -136.11 -51.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.305 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.492 ' H ' HG13 ' A' ' 71' ' ' ILE . 72.3 mtm -149.3 164.76 33.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.779 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.485 HG12 ' HG2' ' B' ' 45' ' ' GLU . 3.4 mp -134.98 129.81 51.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.577 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -108.92 124.84 51.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 111.571 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -91.03 92.57 8.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.012 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.589 HG13 ' HB1' ' B' ' 42' ' ' ALA . 7.4 p -93.84 147.22 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.931 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -110.98 96.82 6.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.59 -68.02 1.19 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.358 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.46 131.44 35.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . . . -61.14 134.37 93.04 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 42.2 Cg_exo -57.1 155.24 29.64 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.418 2.078 . . . . 0.0 112.292 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.36 153.41 33.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 60.24 100.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.395 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.549 ' HB3' ' HD3' ' A' ' 85' ' ' PRO . . . -64.1 -48.77 76.67 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.639 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 84' ' ' ALA . 57.4 Cg_exo -51.94 -29.49 35.68 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.2 1.933 . . . . 0.0 112.488 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.56 133.51 52.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.05 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -130.4 -41.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -90.16 -28.52 18.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.936 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.2 tmm? . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m -57.42 156.17 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -99.38 110.99 23.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.254 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 62.68 113.6 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.241 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -155.87 130.58 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.078 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -82.59 171.93 13.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.766 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 68.8 t -127.12 127.47 24.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.177 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.7 138.59 86.58 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.347 2.031 . . . . 0.0 112.204 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -148.81 -27.92 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 43.2 pt -72.75 166.75 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.4 m -79.33 152.1 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.214 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.16 -64.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 59.2 t -137.25 132.18 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.6 p -71.19 176.2 4.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.213 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -78.79 123.18 26.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.996 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -152.81 142.37 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -111.29 128.01 55.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 p -164.52 -28.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.262 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -60.46 -25.37 65.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.8 p -77.76 -29.37 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.56 74.92 0.29 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.585 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.83 116.58 7.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.715 0.293 . . . . 0.0 110.816 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -95.74 125.01 40.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.975 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 14.5 p -168.25 -30.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 61.33 174.42 0.11 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.317 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -165.47 4.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -75.82 144.84 41.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -99.48 151.79 20.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 44.6 t -90.27 1.23 56.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.774 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.8 mt -128.88 166.97 18.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 67.5 mt 59.18 97.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.17 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 74.9 p -117.07 4.31 12.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.319 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 33.6 m -75.44 175.03 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.299 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -95.98 -162.47 0.95 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.0 -46.03 70.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.649 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -151.7 112.15 4.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.721 0.296 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -176.95 91.64 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.687 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.589 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -126.57 -40.42 1.93 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.378 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 43.7 t -60.27 142.7 54.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.653 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 18.1 ttt -140.2 130.38 25.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.891 0.377 . . . . 0.0 111.169 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.485 ' HG2' HG12 ' A' ' 73' ' ' ILE . 29.3 mt-10 -80.78 102.35 9.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.265 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.463 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 35.9 m -74.25 130.56 82.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.533 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 76.3 Cg_endo -101.78 168.66 0.31 Allowed 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.284 2.656 . . . . 0.0 112.433 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.92 139.97 73.73 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.33 -44.44 1.13 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.359 2.039 . . . . 0.0 112.629 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -145.44 157.34 44.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 111.104 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.24 153.34 42.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.066 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.0 -156.38 18.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.628 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 44.6 t -130.1 128.51 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 111.086 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.8 t -73.71 101.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.058 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -80.5 -53.27 6.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.6 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.79 145.81 9.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.027 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -108.01 170.49 7.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.851 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -133.02 6.27 3.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.309 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.402 ' C ' HD22 ' B' ' 60' ' ' ASN . 27.0 m -119.02 139.87 44.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 111.465 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.51 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.9 OUTLIER -106.02 149.19 26.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.618 179.775 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 45.2 t -66.1 121.44 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.72 -14.45 17.32 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -92.31 120.57 32.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.766 0.317 . . . . 0.0 110.794 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.45 ' NZ ' ' HB3' ' B' ' 64' ' ' LYS . 0.3 OUTLIER -56.35 158.19 4.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.408 HG22 ' N ' ' B' ' 66' ' ' LYS . 5.6 p -113.26 164.08 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.408 ' N ' HG22 ' B' ' 65' ' ' VAL . 37.2 mtmm -143.38 162.02 36.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.853 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 72.0 p -73.47 117.9 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.79 -0.27 28.86 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.668 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 88.2 p -104.22 130.96 51.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.816 0.341 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 73.6 mt -67.92 170.43 8.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.798 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.489 HG13 ' H ' ' B' ' 72' ' ' MET . 14.7 pt -136.4 -51.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.241 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.489 ' H ' HG13 ' B' ' 71' ' ' ILE . 73.5 mtm -149.44 165.6 31.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.512 HG12 ' HG2' ' A' ' 45' ' ' GLU . 3.1 mp -135.23 135.69 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.206 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -114.93 122.72 47.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.26 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -89.04 92.58 9.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.874 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.617 HG13 ' HB1' ' A' ' 42' ' ' ALA . 3.7 p -92.59 149.8 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -124.13 -43.56 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.637 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 58.8 61.1 7.76 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.575 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.54 138.76 32.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.776 0.322 . . . . 0.0 111.243 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.33 145.33 29.39 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.009 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.43 144.44 83.61 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.525 2.15 . . . . 0.0 112.314 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.83 -56.9 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.066 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.57 131.16 6.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -131.75 135.17 26.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -80.15 165.69 21.26 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.421 2.08 . . . . 0.0 112.451 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . 61.99 108.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.619 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -139.73 134.93 32.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.708 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.32 166.41 23.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.962 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.956 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.2 t -91.85 -44.63 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.976 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -74.54 135.48 42.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -111.75 123.07 49.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.404 HG23 ' OD1' ' A' ' 6' ' ' ASN . 31.6 m -66.04 -15.44 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.044 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.404 ' OD1' HG23 ' A' ' 5' ' ' VAL . 16.7 m120 -112.52 160.88 17.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.522 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -84.44 150.05 56.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.12 158.97 54.77 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.471 2.114 . . . . 0.0 112.162 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -112.82 -76.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.3 mt 64.87 132.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.255 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.81 142.4 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.059 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -73.37 114.25 11.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -155.68 115.98 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.974 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.2 p -144.68 130.4 19.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.055 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.65 149.72 49.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.75 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.7 m -56.07 147.59 4.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.318 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.6 mmt 60.81 -176.85 0.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.067 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -99.39 164.71 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -64.86 136.97 57.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.007 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.2 t 58.85 98.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.293 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.75 74.98 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -73.41 148.34 43.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.36 . . . . 0.0 110.937 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -116.39 -9.74 11.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.19 131.21 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.0 -45.15 20.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.079 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.93 17.86 6.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.311 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -108.0 30.84 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 61.47 106.83 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.2 t -126.65 146.97 49.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.9 mt -103.9 113.87 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.6 pt -112.27 -2.89 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -71.46 159.59 34.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.2 m -87.0 -179.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -136.91 142.06 42.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.407 ' HA3' ' HA3' ' B' ' 78' ' ' GLY . . . -84.47 70.43 3.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.581 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.1 126.86 30.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.647 0.261 . . . . 0.0 110.736 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HB3' ' NZ ' ' A' ' 41' ' ' LYS . 7.9 mtpm? 57.91 93.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.756 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -122.0 -21.62 5.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.457 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.549 ' HB2' ' HA ' ' B' ' 75' ' ' GLU . 47.1 t -57.52 144.81 35.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.595 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 56.9 ttp -152.82 129.38 10.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.192 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -69.11 148.63 49.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.649 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.429 HG11 ' HG3' ' B' ' 49' ' ' PRO . 33.0 m -124.73 144.53 46.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.086 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -101.78 146.75 0.27 Allowed 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 123.228 2.619 . . . . 0.0 112.37 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.77 145.27 78.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.012 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.44 ' HG3' HG11 ' B' ' 46' ' ' VAL . 43.4 Cg_endo -68.27 -50.54 0.72 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.457 2.104 . . . . 0.0 112.479 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -146.6 149.62 33.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.82 145.3 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.435 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -173.23 -169.95 36.27 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.855 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.7 t -129.38 130.93 67.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.76 0.314 . . . . 0.0 110.483 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.6 t -71.52 109.68 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.042 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -112.81 -47.98 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.766 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -124.6 106.68 10.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.03 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.7 tp -89.94 124.01 34.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.716 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -104.1 -3.02 25.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.455 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.0 m -118.98 141.52 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 0.0 111.271 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -124.71 151.64 44.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.747 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.9 t -54.05 119.88 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.26 13.25 57.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -104.22 108.99 20.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -48.92 150.99 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.342 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.94 156.26 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.802 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -138.69 148.94 44.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.6 m -62.1 129.78 42.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.27 -16.67 58.89 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.0 t -84.21 157.27 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 70' ' ' LEU . 7.8 mp -79.48 155.69 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.767 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 72' ' ' MET . 19.0 pt -128.87 -48.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.617 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.472 ' N ' HG13 ' A' ' 71' ' ' ILE . 9.8 ptm -168.1 143.31 3.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.816 0.341 . . . . 0.0 111.141 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.1 mt -110.15 138.88 35.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.435 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 58.9 m-85 -111.12 130.23 55.68 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' HB2' ' B' ' 43' ' ' SER . 40.0 tt0 -93.67 92.28 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.429 HG12 ' HA2' ' A' ' 52' ' ' GLY . 4.3 m -98.97 158.29 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.595 -178.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -113.68 108.54 17.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -89.79 -71.65 1.25 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.555 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.11 141.21 28.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.319 . . . . 0.0 111.046 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.08 146.04 92.51 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.81 -52.86 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.583 2.189 . . . . 0.0 112.407 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -167.56 104.59 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.23 104.04 12.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.486 ' HB3' ' HD3' ' A' ' 85' ' ' PRO . . . -72.6 -51.63 6.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.503 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.486 ' HD3' ' HB3' ' A' ' 84' ' ' ALA . 90.0 Cg_endo -77.54 -11.51 17.12 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.017 1.811 . . . . 0.0 112.253 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 59.71 -176.05 0.1 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.236 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -107.7 155.9 19.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 63.43 111.28 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.066 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.999 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.533 ' HG3' HG13 ' B' ' 2' ' ' VAL . 26.1 ptt? . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.849 0.357 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.533 HG13 ' HG3' ' B' ' 1' ' ' MET . 29.4 m -117.88 148.37 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.09 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -96.02 -27.95 14.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.767 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.08 100.99 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.661 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.8 t -80.65 127.52 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.048 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -126.24 178.52 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.25 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 29.6 m -91.42 155.14 44.41 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.137 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.39 128.42 20.27 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.454 2.103 . . . . 0.0 112.177 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -68.71 115.22 7.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.044 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 tp -141.76 -25.47 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.759 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.0 p -129.92 140.79 48.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -70.81 112.88 7.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -116.98 -30.88 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -103.81 -16.53 15.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.423 ' HG3' ' H ' ' B' ' 21' ' ' MET . 11.1 tp10 -89.38 155.55 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 31.4 m -60.93 -22.25 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.291 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . 0.423 ' H ' ' HG3' ' B' ' 19' ' ' GLU . 26.8 ttt 61.54 102.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.083 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 34.3 t -68.18 149.66 11.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -59.04 -77.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 43.3 t -129.52 -75.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.344 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.73 125.87 2.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -94.99 157.83 15.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.856 0.36 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -94.43 126.05 39.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.19 12.07 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.49 155.75 28.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.239 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.75 169.12 11.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.995 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -97.45 -41.18 8.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -128.26 177.9 6.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.997 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -93.68 177.19 6.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.733 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 49.6 tp -113.45 -41.7 3.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.231 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 50.7 mm 64.58 -79.19 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.129 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 94.5 m -62.4 125.29 23.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.196 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.9 t -119.51 -45.98 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 62.55 172.24 0.14 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.027 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.81 158.72 19.38 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.532 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -97.64 135.76 38.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.701 0.286 . . . . 0.0 110.795 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.471 ' C ' ' H ' ' B' ' 43' ' ' SER . 36.7 mtmm -95.45 -4.46 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.709 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 76' ' ' VAL . . . 69.93 -17.52 0.25 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.835 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.51 ' HB2' ' HA ' ' A' ' 75' ' ' GLU . 48.3 t -62.15 141.75 58.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.524 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 60.1 ttp -148.02 130.35 15.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.34 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -70.31 150.2 46.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.534 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.44 HG11 ' HG3' ' A' ' 49' ' ' PRO . 32.7 m -125.79 145.01 50.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.262 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 76.9 Cg_endo -101.62 150.46 0.32 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.286 2.657 . . . . 0.0 112.532 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.23 144.49 94.68 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.821 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.429 ' HG3' HG11 ' A' ' 46' ' ' VAL . 40.6 Cg_endo -67.46 -49.33 1.26 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.49 2.127 . . . . 0.0 112.634 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -147.99 151.31 35.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.063 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.98 144.64 44.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.1 -163.59 28.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.61 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 45.1 t -130.93 134.94 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 111.109 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.3 t -74.16 109.66 7.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -112.8 -50.24 2.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.972 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -122.43 108.53 13.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 32.9 tp -91.08 124.32 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.662 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -104.13 -3.13 24.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.415 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.87 141.83 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 111.362 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -125.03 151.49 45.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.573 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.42 119.59 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.085 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.9 10.67 58.56 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.581 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -101.47 112.49 25.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.709 0.29 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -52.49 150.1 5.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.262 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.18 158.5 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.81 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -142.49 150.28 40.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 111.09 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.8 m -63.46 129.34 39.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.16 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.51 -17.59 57.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.532 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 47.3 t -82.92 157.97 22.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.408 ' N ' HD12 ' B' ' 70' ' ' LEU . 8.0 mp -81.63 153.64 26.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.806 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.482 HG13 ' N ' ' B' ' 72' ' ' MET . 20.9 pt -126.76 -49.0 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.782 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.482 ' N ' HG13 ' B' ' 71' ' ' ILE . 10.1 ptm -168.14 142.37 3.41 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.79 0.328 . . . . 0.0 111.329 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 38.1 mt -107.1 145.85 14.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.45 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -118.84 126.79 52.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.736 0.303 . . . . 0.0 111.686 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 43' ' ' SER . 40.0 tt0 -90.83 92.74 8.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.693 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 m -99.03 158.49 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.4 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -115.3 126.66 54.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . 0.407 ' HA3' ' HA3' ' A' ' 39' ' ' GLY . . . -65.27 -49.7 60.12 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.533 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -120.61 117.45 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 111.051 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' B' ' 81' ' ' PRO . . . -81.97 126.81 74.13 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.04 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' B' ' 80' ' ' ALA . 26.1 Cg_exo -62.7 -13.2 32.55 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.426 2.084 . . . . 0.0 112.177 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.34 -68.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.058 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.05 149.95 44.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.567 ' HB3' ' HD3' ' B' ' 85' ' ' PRO . . . -87.53 -49.22 0.45 Allowed Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.626 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' B' ' 84' ' ' ALA . 42.8 Cg_exo -57.38 119.71 7.14 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.059 1.839 . . . . 0.0 112.382 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -135.68 125.47 25.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -135.29 -71.66 0.47 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -140.19 -54.89 0.53 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.019 -179.905 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.775 0.322 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.3 m -125.92 145.2 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -78.92 137.54 37.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -81.59 133.92 35.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.614 HG12 HD22 ' A' ' 6' ' ' ASN . 17.1 t -86.13 101.03 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.974 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.614 HD22 HG12 ' A' ' 5' ' ' VAL . 41.9 m-80 57.43 93.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.2 p -97.39 130.72 28.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.34 139.8 91.53 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.37 2.047 . . . . 0.0 112.291 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -95.16 -66.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.633 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 pt -108.79 142.89 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.909 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.2 t 61.04 101.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.67 -61.62 2.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 p -113.12 142.47 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.058 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.6 p -94.54 148.53 22.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.65 175.12 5.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.057 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.4 p -165.62 -33.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 86.6 mtp -76.85 106.96 8.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -100.05 -174.51 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.293 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -62.31 134.79 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.012 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 p -125.78 144.71 34.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.29 153.82 24.17 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.54 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -84.41 134.37 34.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.73 0.3 . . . . 0.0 110.595 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 4.6 ttmp? -56.48 -42.56 78.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.331 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.7 t -69.53 146.6 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 62.31 12.46 5.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.474 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.52 -47.48 5.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -156.29 109.01 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.012 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -148.09 120.35 8.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.794 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.4 t -94.3 148.98 21.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.073 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.6 mt -85.09 100.07 11.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.723 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.5 mt -130.66 105.62 11.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.182 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.5 m -107.09 127.17 53.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.85 148.61 11.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.412 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.47 160.72 41.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.701 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.49 -16.39 56.58 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.403 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -117.27 143.1 46.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.635 0.255 . . . . 0.0 110.713 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm 58.85 94.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -95.31 -12.62 25.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.431 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.1 t -58.51 146.6 34.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.453 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.5 tpt -151.7 121.13 6.85 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.876 0.37 . . . . 0.0 111.321 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -65.23 147.57 53.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.755 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.8 m -121.51 137.51 27.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 64.2 Cg_endo -101.66 170.26 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.162 2.574 . . . . 0.0 112.493 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.11 143.11 69.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.68 -42.37 2.49 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.385 2.057 . . . . 0.0 112.457 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -146.83 152.05 38.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.99 146.4 47.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.407 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.46 -168.51 33.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.231 -0.985 . . . . 0.0 112.979 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.64 125.15 70.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.638 0.256 . . . . 0.0 110.823 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.7 t -71.57 108.66 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.956 0.408 . . . . 0.0 111.089 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -84.2 -67.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.796 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -149.74 127.54 11.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.793 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -58.98 152.49 19.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.816 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -112.73 -21.45 11.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.782 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.3 m -121.44 155.99 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -107.04 151.05 25.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.648 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.94 124.07 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.82 15.4 20.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.32 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -116.56 115.42 25.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.837 0.351 . . . . 0.0 111.085 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -49.38 142.76 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.26 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -110.85 157.58 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.04 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -142.49 157.21 44.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.0 p -61.95 121.25 12.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.71 -7.13 33.61 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.663 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.3 p -91.55 141.69 28.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.849 0.357 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.1 mt -83.75 146.64 28.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.758 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.512 HG13 ' H ' ' A' ' 72' ' ' MET . 9.4 pt -112.3 -52.59 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.463 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.512 ' H ' HG13 ' A' ' 71' ' ' ILE . 66.6 mtt -148.62 169.53 20.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.96 0.409 . . . . 0.0 111.248 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.415 HG12 ' HG2' ' B' ' 45' ' ' GLU . 35.4 mt -132.64 129.78 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.605 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -107.79 133.34 52.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 111.785 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -101.71 92.66 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.865 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.2 p -93.18 151.29 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.182 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -99.3 111.35 23.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.38 124.14 3.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.677 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.79 150.96 20.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.17 140.32 65.74 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.13 123.7 6.85 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.505 2.136 . . . . 0.0 112.373 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 59.42 177.31 0.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.338 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 58.94 16.91 4.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.453 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.492 ' N ' ' HD2' ' A' ' 85' ' ' PRO . . . -78.57 -51.23 1.5 Allowed Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.742 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 84' ' ' ALA . 56.1 Cg_endo -70.34 133.32 24.24 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.994 1.796 . . . . 0.0 112.446 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.69 -71.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -163.29 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -60.99 -63.97 1.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.962 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ptp . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.84 0.353 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.577 HG13 ' HG3' ' B' ' 3' ' ' LYS . 12.1 p -84.71 -21.52 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.577 ' HG3' HG13 ' B' ' 2' ' ' VAL . 61.1 mttp -137.99 147.71 44.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.62 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.5 -176.38 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.094 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 m -130.1 174.69 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.987 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . 0.572 ' N ' HD22 ' B' ' 6' ' ' ASN . 0.8 OUTLIER -102.92 -63.23 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 30.3 m -87.59 151.73 50.88 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.239 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.55 156.53 57.8 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.498 2.132 . . . . 0.0 112.289 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -165.24 -20.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.471 ' N ' HD12 ' B' ' 10' ' ' ILE . 3.8 mp 61.83 106.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 24.8 m -122.72 -177.84 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.251 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -111.79 158.79 18.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.768 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 44.1 t -101.44 126.6 55.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 7.0 t -145.37 140.26 27.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' B' ' 19' ' ' GLU . 0.0 OUTLIER -69.97 166.36 19.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.791 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 t -76.49 -44.39 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 57.4 ttp 60.79 105.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.169 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -107.7 103.36 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.056 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -120.67 9.02 10.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.686 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.13 123.91 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.12 50.26 0.78 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.53 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -80.38 -176.66 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.745 0.307 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' B' ' 27' ' ' LYS . 10.8 mptt -84.83 -175.25 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.683 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.611 HG23 ' H ' ' B' ' 30' ' ' ALA . 27.2 m -70.07 -30.35 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.99 13.9 3.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.299 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.611 ' H ' HG23 ' B' ' 28' ' ' VAL . . . -140.42 -170.04 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.075 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 61.26 13.75 5.09 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.783 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -73.93 -22.12 59.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.9 t -80.88 175.73 10.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.646 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.5 mt -108.06 -12.68 15.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.128 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.474 ' N ' HD12 ' B' ' 35' ' ' ILE . 3.8 mp 59.42 98.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -138.95 151.61 47.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.939 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.506 HG12 ' H ' ' B' ' 39' ' ' GLY . 32.0 t -64.1 132.07 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.964 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.39 -33.07 74.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.058 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . 0.506 ' H ' HG12 ' B' ' 37' ' ' VAL . . . -77.5 -101.26 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.503 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -126.29 149.75 48.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.664 0.269 . . . . 0.0 110.791 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -139.29 -71.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.98 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.45 -11.48 29.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 40.6 t -59.32 141.77 53.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 15.5 tpt -146.23 125.28 12.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.061 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.415 ' HG2' HG12 ' A' ' 73' ' ' ILE . 28.5 mt-10 -68.37 148.93 50.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.725 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -121.81 137.36 27.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.072 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -101.78 172.97 0.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.261 2.641 . . . . 0.0 112.617 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.29 142.63 59.02 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.02 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.83 -43.11 1.9 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.363 2.042 . . . . 0.0 112.498 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -146.61 154.0 40.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.034 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.21 141.31 57.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -168.89 -162.76 21.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.572 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -124.13 129.72 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 111.202 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 73.2 t -74.49 109.12 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -85.62 -67.81 0.78 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -149.84 126.0 10.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -57.02 152.57 12.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.657 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -112.78 -21.88 10.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.706 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 26.7 m -120.6 155.87 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -107.3 150.29 26.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.764 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 46.1 t -66.26 124.77 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.14 13.08 25.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -114.69 120.14 39.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -53.91 142.18 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.091 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 p -109.16 158.13 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.987 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -144.18 158.66 43.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.018 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 71.7 p -62.65 122.06 14.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.34 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.52 -10.93 35.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.697 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 96.9 p -88.18 143.24 27.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 111.078 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 62.9 mt -85.8 146.52 26.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.735 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.517 HG13 ' H ' ' B' ' 72' ' ' MET . 10.3 pt -112.2 -52.75 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.601 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.517 ' H ' HG13 ' B' ' 71' ' ' ILE . 64.6 mtt -148.61 168.62 22.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.031 0.443 . . . . 0.0 111.336 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 27.7 mt -129.8 138.82 53.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.012 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -117.81 129.56 55.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.846 0.355 . . . . 0.0 111.464 -179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -97.92 92.72 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.228 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.426 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 9.2 p -93.38 151.56 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.959 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -99.8 152.86 19.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.745 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.32 -79.57 0.07 OUTLIER Glycine 0 CA--C 1.519 0.297 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.882 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.0 132.68 53.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.306 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.09 152.84 92.71 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.38 -66.45 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.372 2.048 . . . . 0.0 112.451 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.36 -78.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 56.14 89.6 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.382 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.569 ' H ' ' HD2' ' B' ' 85' ' ' PRO . . . -169.87 -51.41 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.586 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . 0.569 ' HD2' ' H ' ' B' ' 84' ' ' ALA . 90.9 Cg_endo -79.46 -52.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.073 1.849 . . . . 0.0 112.585 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . 58.48 -178.75 0.07 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.272 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -139.15 154.04 48.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 20.1 pm0 -130.16 156.03 45.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.878 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.4 p -135.71 -26.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.014 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp 61.04 103.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.261 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -150.58 157.52 43.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.77 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.9 m -115.93 16.69 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.293 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 60.85 -170.27 0.15 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.4 m -128.42 148.54 68.45 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.327 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.3 134.05 53.18 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.523 2.149 . . . . 0.0 112.127 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -94.34 169.33 10.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 pt -74.62 -17.63 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.179 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.2 p -89.45 140.75 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -156.27 -67.79 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.977 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.1 p -128.0 -27.62 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.5 m -64.15 106.21 1.03 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -128.06 -55.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.8 t 61.03 102.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.27 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.5 ttt -159.57 141.63 13.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.8 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.1 t -133.42 127.27 53.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.02 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -81.47 104.58 12.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.0 t -85.23 106.58 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -164.17 85.29 0.1 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.414 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -102.31 125.1 48.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 0.0 110.978 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -164.25 -40.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.634 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.76 109.72 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 62.13 -81.93 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.525 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 61.06 -177.94 0.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.331 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -162.69 171.55 16.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -125.55 -25.63 3.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.977 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.4 m -118.04 110.82 18.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' HG ' HG23 ' A' ' 35' ' ' ILE . 55.8 tp -96.35 -75.12 0.54 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.781 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.422 HG23 ' HG ' ' A' ' 34' ' ' LEU . 38.5 pt -141.62 158.1 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.982 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.4 p 51.17 -168.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.567 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -101.57 123.3 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -100.34 167.68 10.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.57 -131.03 1.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.584 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -129.85 140.53 50.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.872 0.367 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -74.09 173.51 9.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.42 ' O ' HG13 ' B' ' 76' ' ' VAL . . . -134.33 61.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.015 0.435 . . . . 0.0 111.357 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.9 p -67.69 145.24 54.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.671 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.0 tpt -140.34 119.61 12.95 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -76.62 122.61 24.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.859 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 26.8 m -96.64 141.73 23.52 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 79.8 Cg_endo -101.83 169.48 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.183 2.589 . . . . 0.0 112.539 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.49 143.96 42.31 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.54 -43.21 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.499 2.133 . . . . 0.0 112.915 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -147.11 152.76 39.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.773 0.321 . . . . 0.0 111.15 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.07 150.55 47.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.492 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.14 -159.26 23.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.214 -0.994 . . . . 0.0 113.068 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 31.9 t -132.03 143.62 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.647 0.261 . . . . 0.0 110.562 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -71.78 118.21 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.92 0.391 . . . . 0.0 110.976 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -81.36 -61.08 2.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -160.34 134.62 7.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.465 ' HB2' HG22 ' B' ' 61' ' ' VAL . 6.6 tt -73.99 141.49 45.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.81 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.541 ' HG3' HG13 ' A' ' 59' ' ' VAL . 19.7 ptpt -125.56 -13.63 6.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.287 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.541 HG13 ' HG3' ' A' ' 58' ' ' LYS . 27.4 m -120.29 139.73 46.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.913 0.387 . . . . 0.0 111.467 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -101.75 151.45 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.483 HG22 ' HB2' ' B' ' 57' ' ' LEU . 43.7 t -52.95 119.97 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.51 15.0 28.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.437 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -103.86 100.72 10.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 111.095 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -48.15 153.07 0.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.352 179.71 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 p -115.88 163.19 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.942 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -140.76 150.69 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.847 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.9 p -59.0 122.99 15.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.188 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.25 -3.43 51.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.515 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.0 t -101.66 130.06 47.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.495 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 77.2 mt -67.0 160.04 27.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.781 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.517 HG13 ' H ' ' A' ' 72' ' ' MET . 12.7 pt -122.34 -52.13 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.403 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.517 ' H ' HG13 ' A' ' 71' ' ' ILE . 96.4 mmm -145.88 167.47 23.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.828 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.4 mt -134.43 129.33 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -107.0 152.93 23.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.993 0.425 . . . . 0.0 111.6 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.612 ' HB3' ' HE3' ' B' ' 41' ' ' LYS . 44.0 mt-10 -114.37 94.46 4.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.239 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 p -99.89 119.36 47.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.08 0.466 . . . . 0.0 111.769 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -82.86 102.71 11.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.754 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.39 -68.29 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.565 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -149.96 123.22 8.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 0.0 111.078 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.428 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . . . -92.31 137.72 24.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 18.2 Cg_exo -66.53 -172.04 0.28 Allowed 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.607 2.205 . . . . 0.0 112.313 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.59 157.59 18.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.08 149.31 38.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.02 151.16 51.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.28 123.19 10.0 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.371 2.047 . . . . 0.0 112.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.13 153.33 35.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -112.38 111.16 21.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 61.03 101.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.168 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.804 -179.944 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.73 0.3 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.9 t 61.8 101.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.314 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -158.52 112.56 2.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.777 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -140.4 119.69 12.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.602 HG13 ' H ' ' B' ' 7' ' ' VAL . 11.0 p -139.35 -4.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.957 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 65.4 t30 62.43 19.8 11.41 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.068 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.602 ' H ' HG13 ' B' ' 5' ' ' VAL . 86.5 t -133.71 131.8 21.36 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.015 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.23 135.95 28.12 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.318 2.012 . . . . 0.0 112.215 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -146.03 155.85 43.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 pt -99.06 167.64 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -114.8 130.75 68.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.06 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -124.38 -49.09 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 24.6 m -113.44 157.19 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.196 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -99.37 -25.46 14.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.264 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.531 ' HG3' HG23 ' B' ' 20' ' ' VAL . 10.5 tp10 -150.67 117.44 5.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.531 HG23 ' HG3' ' B' ' 19' ' ' GLU . 53.0 t 65.06 144.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.444 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 48.9 ttm -126.02 -36.52 2.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 29.5 m -94.91 -178.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.937 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -169.92 -66.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 p -154.47 -24.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.87 -134.91 6.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.394 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -124.05 128.09 48.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.779 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -141.3 -8.05 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.84 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 25.9 m -105.99 142.65 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.21 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -166.45 -66.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.37 175.34 7.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -161.65 -27.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -75.91 -1.49 25.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 59.4 m -74.76 -66.09 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 48.0 tp 60.49 99.26 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 36.0 pt -95.01 141.07 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.071 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 77.7 p -141.73 -51.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 p -112.52 -30.6 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.57 111.7 4.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.41 -44.66 1.1 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.425 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -152.62 124.25 7.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.715 0.293 . . . . 0.0 110.832 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.612 ' HE3' ' HB3' ' A' ' 75' ' ' GLU . 53.3 tptt -169.65 89.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.646 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.72 134.74 34.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.55 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.6 p -136.92 130.83 32.21 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.668 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 16.3 tpt -122.29 126.91 49.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.998 0.427 . . . . 0.0 111.76 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -83.14 118.28 23.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.247 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.4 m -91.97 141.2 25.1 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.521 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.495 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 68.1 Cg_endo -101.85 170.46 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 123.277 2.651 . . . . 0.0 112.409 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.25 143.19 41.75 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.856 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.81 -42.2 1.21 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.455 2.103 . . . . 0.0 112.676 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -148.2 154.52 40.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 111.108 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.01 147.85 49.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.06 -156.79 17.43 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.586 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.462 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 33.4 t -131.29 144.89 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.331 . . . . 0.0 111.002 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.5 t -71.88 119.11 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -82.52 -63.77 1.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -157.4 136.22 11.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.483 ' HB2' HG22 ' A' ' 61' ' ' VAL . 6.6 tt -75.97 140.68 42.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.766 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.534 ' HG3' HG13 ' B' ' 59' ' ' VAL . 19.8 ptpt -124.97 -12.23 7.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.523 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.534 HG13 ' HG3' ' B' ' 58' ' ' LYS . 25.4 m -121.76 139.69 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.95 0.405 . . . . 0.0 111.445 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -102.07 151.47 22.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 57' ' ' LEU . 41.9 t -52.56 119.55 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.41 12.98 31.83 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.645 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -101.98 103.08 13.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.746 0.307 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -50.56 153.63 1.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.34 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.42 HG22 ' H ' ' B' ' 66' ' ' LYS . 4.1 p -114.67 165.11 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.42 ' H ' HG22 ' B' ' 65' ' ' VAL . 68.3 mttm -143.62 151.37 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.861 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 78.7 p -59.89 122.9 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.242 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.7 -2.62 52.8 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.44 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.2 t -102.51 129.63 49.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.815 0.341 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 79.8 mt -66.8 160.45 25.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.806 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.513 HG13 ' H ' ' B' ' 72' ' ' MET . 14.1 pt -122.78 -52.41 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.319 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.513 ' H ' HG13 ' B' ' 71' ' ' ILE . 95.1 mmm -146.45 166.97 24.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.927 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 12.2 mt -133.16 135.28 56.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.436 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -113.08 152.62 29.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.032 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -114.18 92.9 4.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 42' ' ' ALA . 1.3 p -99.11 121.95 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.854 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.86 115.28 22.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -118.26 -126.29 3.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -136.53 149.44 48.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.11 152.9 96.13 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -64.01 165.9 17.89 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.35 2.034 . . . . 0.0 112.312 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.413 ' H ' ' H ' ' B' ' 83' ' ' ALA . . . -157.49 -17.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.413 ' H ' ' H ' ' B' ' 82' ' ' ALA . . . -79.14 133.29 36.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.558 ' HB3' ' HD3' ' B' ' 85' ' ' PRO . . . -74.95 -48.81 4.48 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.674 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' B' ' 84' ' ' ALA . 52.5 Cg_exo -55.19 135.98 71.31 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.291 1.994 . . . . 0.0 112.354 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -114.77 -7.2 12.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -85.98 -26.66 25.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 59.73 -177.57 0.09 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.003 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.006 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.8 mtp . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.525 HG23 ' HG3' ' A' ' 4' ' ' GLU . 31.1 m -105.58 -17.91 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.028 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.0 tptm 58.97 96.28 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.041 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.525 ' HG3' HG23 ' A' ' 2' ' ' VAL . 41.8 mt-10 -113.74 135.87 53.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.784 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.2 m -123.72 150.31 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.347 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -153.5 -24.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.595 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 p -120.02 130.96 24.58 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.797 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.4 130.81 24.7 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.367 2.044 . . . . 0.0 112.365 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -137.2 -34.06 0.73 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.3 tt -85.37 -36.2 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.9 p -89.3 139.64 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.17 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -141.05 145.24 35.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.4 t -94.78 114.4 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.273 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.3 m -147.27 -58.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.994 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -93.5 133.67 36.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.763 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.4 t -111.86 -40.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.289 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.7 ttm 58.35 98.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.7 m -59.4 140.3 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.57 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.28 160.84 13.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.761 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.61 139.49 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.382 . . . . 0.0 111.315 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.14 -34.7 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.276 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -113.98 131.47 56.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 110.674 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HD2' ' HB2' ' A' ' 30' ' ' ALA . 59.6 pttt -132.76 144.31 50.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.107 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.7 m -117.63 -4.16 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.98 -15.83 0.26 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.402 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . . . 60.52 -85.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.406 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -140.91 -174.95 4.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.2 102.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.638 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.7 m -103.17 134.58 46.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.941 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 34' ' ' LEU . 7.3 mp -71.32 116.16 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.3 pp -119.91 172.8 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.191 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.7 t -105.27 148.62 26.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.321 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.07 148.75 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -86.57 126.49 34.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.91 119.49 3.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.588 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -107.28 113.97 27.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 110.75 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.499 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 11.7 mmpt? -80.54 178.82 8.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.08 -87.07 0.54 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.058 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.525 ' HB2' ' HG3' ' B' ' 75' ' ' GLU . 47.0 t -58.7 136.28 57.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.995 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 65.5 mtt -145.96 119.84 9.32 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.861 0.362 . . . . 0.0 111.267 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.505 ' HG2' HD12 ' B' ' 73' ' ' ILE . 32.1 mt-10 -67.79 153.01 44.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.851 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.5 m -136.59 139.58 29.73 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.025 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 70.5 Cg_endo -101.78 154.55 0.35 Allowed 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.211 2.607 . . . . 0.0 112.639 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.37 148.62 97.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.17 -48.8 0.33 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.435 2.09 . . . . 0.0 112.632 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -149.86 153.27 36.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.972 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.78 141.52 55.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.669 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.457 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -164.03 -167.03 23.89 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.915 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.9 t -135.59 129.75 49.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.754 0.311 . . . . 0.0 110.476 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.0 t -71.4 101.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -100.17 -39.87 7.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -149.19 108.34 3.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -65.47 170.83 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.0 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -128.62 -38.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 t -118.58 162.76 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.747 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -111.56 147.53 35.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.677 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.2 t -62.8 120.93 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.62 -6.26 14.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -104.34 125.8 50.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -55.12 157.03 3.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.993 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 66' ' ' LYS . 9.3 p -114.51 159.58 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.233 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' N ' HG22 ' A' ' 65' ' ' VAL . 98.9 mttt -141.33 157.57 45.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.692 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.8 p -64.34 132.76 51.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.33 -13.23 67.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.561 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.4 t -89.52 142.29 27.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 70' ' ' LEU . 7.3 mp -79.09 165.84 22.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 72' ' ' MET . 19.7 pt -126.24 -47.79 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.577 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.477 ' N ' HG13 ' A' ' 71' ' ' ILE . 19.5 ptp -165.67 145.05 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.693 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.541 HD12 ' HG2' ' B' ' 45' ' ' GLU . 8.9 mm -106.68 133.03 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 111.265 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.457 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 55.9 m-85 -107.69 161.34 14.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.879 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.518 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 28.6 tt0 -129.78 92.1 3.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.192 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 p -94.15 116.87 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -114.69 43.89 1.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.677 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 56.05 -124.86 35.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.411 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.41 130.99 35.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.54 153.02 89.76 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.85 -28.67 24.53 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.417 2.078 . . . . 0.0 112.222 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.51 -62.81 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.06 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.93 149.04 50.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -113.34 96.61 40.23 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.51 112.87 2.27 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.365 2.043 . . . . 0.0 112.023 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -159.69 11.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -130.21 -16.94 3.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.014 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 57.75 -169.38 0.11 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.92 179.866 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.813 0.34 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 t -86.3 126.47 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.037 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -96.18 127.48 42.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -121.35 154.4 36.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 26.8 m -118.37 144.31 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 16.2 m120 58.99 98.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 29.9 m -59.77 132.52 89.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.133 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.01 135.99 54.3 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.503 2.135 . . . . 0.0 112.438 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -90.84 112.78 24.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.764 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 45.1 pt -97.88 153.21 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.304 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 38.4 t -100.97 -48.31 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -115.48 150.25 36.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 57.3 t -75.72 131.95 34.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 57.2 m -61.31 -44.08 97.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -82.53 111.36 18.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.779 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 p -91.18 -32.84 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 46.5 tpp -92.13 118.82 31.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.791 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 25.5 t -111.46 -45.93 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.047 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 59.87 96.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.946 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -105.86 118.63 53.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.002 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.2 69.06 0.85 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.615 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -86.68 140.58 29.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.672 0.272 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 59.76 106.01 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 44.0 t -87.4 110.46 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.02 119.72 33.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.43 132.43 43.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -146.06 -7.13 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.804 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -108.85 14.32 24.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 78.4 p -59.02 167.32 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.9 tp 60.89 102.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.07 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 8.0 tp -139.35 143.42 31.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.065 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 73.5 p -97.26 169.74 9.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.288 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 41.3 t 59.0 97.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.371 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -121.39 -13.58 8.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.74 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.74 -4.91 4.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.346 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -74.58 129.37 37.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.806 0.336 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -93.56 -13.67 27.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.827 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.41 -79.51 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.271 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.518 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 45.0 t -59.59 133.31 55.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.973 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 66.7 mtt -139.18 124.57 19.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.015 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.541 ' HG2' HD12 ' A' ' 73' ' ' ILE . 34.2 mt-10 -72.38 152.15 42.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.45 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 24.9 m -134.34 138.87 31.24 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.371 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 64.3 Cg_endo -101.73 155.83 0.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.233 2.622 . . . . 0.0 112.471 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.23 148.39 98.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.52 -47.98 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.354 2.036 . . . . 0.0 112.857 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -150.04 154.69 38.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.99 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.59 141.36 58.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.268 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.75 -159.72 12.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.495 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.4 t -137.67 133.33 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.75 0.31 . . . . 0.0 111.259 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.3 t -73.01 102.29 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -100.26 -40.23 7.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -149.13 109.29 4.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -65.6 171.83 3.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -129.19 -38.79 1.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 t -118.51 164.13 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.743 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -112.48 148.23 34.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.752 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.52 120.06 9.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 118.98 -6.58 13.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.601 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -103.58 126.58 50.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.794 0.33 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' B' ' 64' ' ' LYS . 0.0 OUTLIER -55.78 156.36 5.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.091 -179.74 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.0 p -112.67 160.81 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.098 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -143.68 159.69 42.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.821 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 77.0 p -66.6 131.0 45.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.2 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.87 -12.37 65.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.496 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 46.1 t -90.67 143.43 26.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.43 ' N ' HD12 ' B' ' 70' ' ' LEU . 7.6 mp -80.74 166.25 21.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.736 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.467 HG13 ' N ' ' B' ' 72' ' ' MET . 21.0 pt -127.1 -46.25 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.546 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.467 ' N ' HG13 ' B' ' 71' ' ' ILE . 20.3 ptp -168.07 143.96 3.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.885 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.505 HD12 ' HG2' ' A' ' 45' ' ' GLU . 5.6 mm -105.17 139.72 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.72 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' A' ' 43' ' ' SER . 47.3 m-85 -115.42 159.28 21.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.292 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.525 ' HG3' ' HB2' ' A' ' 43' ' ' SER . 20.7 tt0 -127.08 92.41 3.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.883 0.373 . . . . 0.0 110.327 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -90.86 117.04 33.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.795 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -128.15 -22.6 3.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 121.82 -66.76 0.46 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.451 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -153.02 135.26 14.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.337 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.53 151.83 56.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.22 -3.28 13.57 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.455 2.104 . . . . 0.0 112.291 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.39 111.03 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.61 -179.51 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.35 154.61 66.34 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.16 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -66.98 -63.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.393 2.062 . . . . 0.0 112.342 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -170.2 -68.27 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.381 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -84.32 107.59 16.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.143 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -146.11 -11.85 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.964 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 ttp . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.0 m -95.34 155.86 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.054 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.2 tptp 60.04 99.29 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.969 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -128.73 87.56 2.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.084 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.489 HG12 HG23 ' A' ' 7' ' ' VAL . 42.7 t 64.15 144.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.325 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -107.41 105.32 15.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.489 HG23 HG12 ' A' ' 5' ' ' VAL . 59.8 t -135.2 128.45 18.44 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.61 158.21 58.68 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.185 1.923 . . . . 0.0 112.022 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -128.72 90.17 3.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.2 pt -139.8 168.06 18.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.2 t -120.97 -72.2 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -142.51 136.73 29.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.496 HG12 HG23 ' A' ' 18' ' ' THR . 24.9 t -67.91 -70.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.496 HG23 HG12 ' A' ' 17' ' ' VAL . 45.3 p -134.76 153.53 51.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -86.3 -38.01 17.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.141 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.4 m 42.92 -162.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.977 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.4 -1.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.4 t -75.47 -54.41 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.183 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -71.53 -72.64 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.023 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.4 m -74.93 157.32 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.166 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.18 147.83 19.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.464 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -118.31 125.2 49.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.742 0.306 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -131.05 94.6 3.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.78 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.4 t -127.65 -64.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.67 147.08 27.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.078 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.78 -60.54 0.09 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 59.13 -172.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 58.58 15.95 3.97 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.0 m -154.82 166.08 34.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.822 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.3 mt -102.54 -78.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.9 tt -170.31 -29.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.347 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -141.26 141.39 33.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.248 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.4 t -81.47 112.64 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -63.41 -64.26 0.95 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.04 -112.34 0.84 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.523 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -137.97 145.55 42.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -74.33 -169.87 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.754 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -112.15 135.13 53.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.567 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.9 p -143.24 146.79 33.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.858 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 26.3 mmt -128.78 121.8 29.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.918 0.389 . . . . 0.0 111.409 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.516 ' HB3' HD22 ' B' ' 70' ' ' LEU . 2.3 mp0 -79.17 146.75 32.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.677 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.44 HG22 ' O ' ' B' ' 72' ' ' MET . 34.6 m -129.89 150.42 75.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -101.3 166.75 0.35 Allowed 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 123.202 2.601 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.51 141.67 52.9 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.81 -49.92 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.42 2.08 . . . . 0.0 112.437 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -145.47 151.41 38.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' B' ' 66' ' ' LYS . . . -62.46 126.38 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.03 -178.03 23.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.548 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.44 HG13 ' HD3' ' B' ' 64' ' ' LYS . 63.9 t -116.4 119.98 63.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.781 0.324 . . . . 0.0 110.645 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.401 HG12 ' H ' ' B' ' 62' ' ' GLY . 91.9 t -71.57 126.46 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.001 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -143.39 -39.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.286 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -127.52 100.06 5.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.961 0.41 . . . . 0.0 111.366 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -71.19 162.45 29.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.818 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -134.08 5.91 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.5 m -142.43 147.9 20.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.206 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -110.35 150.93 28.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.795 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.77 120.4 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.464 ' H ' HG12 ' B' ' 54' ' ' VAL . . . 95.19 4.16 61.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.416 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -98.1 125.69 43.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 111.05 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' HD3' HG13 ' B' ' 53' ' ' VAL . 34.9 mmtp -51.75 155.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.167 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -142.02 144.74 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.001 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -137.56 161.8 35.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.4 p -58.05 142.51 46.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.55 -25.32 19.05 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.645 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.7 m -79.28 136.61 37.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.747 0.308 . . . . 0.0 111.055 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.463 HD22 ' HB3' ' B' ' 45' ' ' GLU . 76.0 mt -68.24 128.26 35.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.736 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 72' ' ' MET . 21.8 pt -93.51 -46.96 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.448 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.457 ' N ' HG13 ' A' ' 71' ' ' ILE . 50.5 ttm -167.49 149.67 5.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.738 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.8 mt -116.97 131.26 70.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.057 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -105.76 156.83 17.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.237 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -98.92 93.0 5.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.559 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 p -107.58 117.15 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.237 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -77.31 123.98 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -87.06 -133.56 3.79 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.599 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.57 152.4 23.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.805 0.336 . . . . 0.0 111.17 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.89 151.33 97.04 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.81 120.88 8.85 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.482 2.122 . . . . 0.0 112.346 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -136.86 178.61 6.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.974 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.57 -173.41 4.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 56.06 78.01 0.4 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -79.2 -16.18 12.42 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.521 2.147 . . . . 0.0 112.429 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.94 -177.19 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.25 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 64.07 115.61 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.363 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -94.4 -33.98 12.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.844 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.133 -0.937 . . . . 0.0 111.062 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.6 p -135.28 126.11 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.558 ' HE3' ' HA ' ' B' ' 3' ' ' LYS . 0.0 OUTLIER -111.29 -49.59 3.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.511 179.655 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 57.75 94.12 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.152 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 m 34.34 86.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.445 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -159.39 128.96 5.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.781 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 p -103.01 130.65 23.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.27 145.64 12.16 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.485 2.123 . . . . 0.0 112.176 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -165.25 -17.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -126.26 106.27 15.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.033 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -106.21 145.45 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -134.19 3.64 3.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 47.5 t -73.84 -72.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.145 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 86.4 m 61.73 103.78 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.179 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.13 140.5 56.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.797 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 25.8 m -64.84 147.01 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 25.0 ttt -162.5 -42.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.678 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 28.4 m -130.42 170.47 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.429 ' N ' ' HD2' ' B' ' 23' ' ' LYS . 0.3 OUTLIER -84.24 125.84 32.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.695 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -123.37 93.08 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.73 173.0 31.79 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.569 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -108.01 161.68 14.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.786 0.327 . . . . 0.0 110.985 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -111.65 148.37 33.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 42.5 t -75.12 -29.31 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.28 179.85 8.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.31 118.26 36.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.65 131.97 34.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.996 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -130.61 -32.72 1.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.739 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -146.19 165.51 28.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.765 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 62.2 mt -112.76 146.84 38.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.733 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 70.9 mt -77.69 127.96 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 48.5 m 59.99 100.29 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 31.5 m -134.92 -36.38 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.192 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -166.88 102.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.44 170.54 13.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.51 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -66.76 147.31 53.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.731 0.3 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -138.6 58.06 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.78 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -174.03 119.81 0.27 Allowed 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.039 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 78.8 p -135.91 142.47 44.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.653 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 26.3 mmt -121.71 129.04 52.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.927 0.394 . . . . 0.0 111.102 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.463 ' HB3' HD22 ' A' ' 70' ' ' LEU . 2.4 mp0 -85.44 148.51 25.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.581 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 72' ' ' MET . 35.0 m -130.56 149.78 74.46 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.262 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -101.44 166.69 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.228 2.618 . . . . 0.0 112.53 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.46 141.37 52.75 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.82 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.9 -49.0 1.62 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.429 2.086 . . . . 0.0 112.525 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -146.4 152.84 39.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.43 129.21 39.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.284 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -156.07 -173.78 25.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.202 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.493 HG13 ' HD3' ' A' ' 64' ' ' LYS . 58.7 t -116.49 124.79 73.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.018 0.437 . . . . 0.0 111.503 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 62' ' ' GLY . 83.3 t -74.13 127.44 35.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.865 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -144.63 -38.56 0.28 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.462 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -127.94 100.11 5.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.844 0.354 . . . . 0.0 111.305 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -71.64 162.36 29.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.669 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -133.35 3.39 3.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.986 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 28.9 m -139.46 149.06 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.228 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -111.47 150.63 29.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.639 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 58.7 t -63.61 119.73 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . 0.401 ' H ' HG12 ' A' ' 54' ' ' VAL . . . 96.92 1.69 59.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.281 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -95.67 130.36 42.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.734 0.302 . . . . 0.0 110.816 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.44 ' HD3' HG13 ' A' ' 53' ' ' VAL . 34.7 mmtp -56.77 155.41 7.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.0 p -140.66 145.79 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 51' ' ' ALA . 97.2 mttt -139.73 162.22 35.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 72.6 p -58.33 140.9 52.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.261 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.98 -23.03 31.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.599 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 63.3 m -81.19 135.96 35.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.95 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.516 HD22 ' HB3' ' A' ' 45' ' ' GLU . 71.8 mt -67.93 127.9 34.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.723 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.461 HG13 ' N ' ' B' ' 72' ' ' MET . 20.2 pt -93.22 -46.9 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.377 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.461 ' N ' HG13 ' B' ' 71' ' ' ILE . 49.7 ttm -168.47 148.83 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 15.5 mt -114.06 137.37 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.662 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -113.13 150.93 31.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.979 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -93.33 92.02 7.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.899 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.6 p -105.42 117.68 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.19 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -81.82 138.05 35.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.09 -118.15 2.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.57 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.02 118.48 23.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 0.0 111.058 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.92 146.14 33.21 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.23 -29.91 4.64 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.411 2.074 . . . . 0.0 112.483 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.45 -55.59 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.332 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 60.7 -179.27 0.1 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -128.8 81.33 71.01 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.425 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.77 140.31 32.02 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.6 2.2 . . . . 0.0 112.153 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.01 143.27 56.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -89.89 -40.19 12.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -108.29 -74.98 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.93 179.841 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtm . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.617 0.246 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 50.6 t 61.93 -84.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt 59.62 106.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.367 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -61.45 125.4 23.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.707 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.0 t -78.24 -63.46 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.164 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -108.6 142.72 38.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.9 m -83.31 154.35 66.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.017 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.85 161.84 4.32 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.5 2.133 . . . . 0.0 112.347 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -87.78 148.27 24.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.447 ' O ' HG12 ' A' ' 15' ' ' VAL . 17.2 tt -75.44 153.39 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 10' ' ' ILE . 6.4 p 44.7 26.49 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.854 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -100.64 -64.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.87 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.0 t -105.92 106.78 21.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.8 m -97.46 129.76 44.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.34 4.73 4.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.775 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.1 t -99.29 134.93 36.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.839 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 96.0 mmm -90.39 140.02 30.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.4 t -101.22 -76.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt 56.79 95.31 0.02 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.927 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -79.61 -63.76 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.302 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.51 125.26 8.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.734 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -107.54 117.16 33.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.662 0.268 . . . . 0.0 110.549 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 tmtp? -131.94 108.16 9.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.4 t -135.22 -30.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.649 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.63 164.18 30.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 61.23 107.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.252 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -94.43 -45.87 7.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.729 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -70.98 123.79 22.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.8 p -98.79 15.37 25.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.049 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.2 tp 61.28 101.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.577 HG13 ' H ' ' A' ' 37' ' ' VAL . 37.6 pt -102.41 -15.32 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.331 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.2 p 51.79 22.58 1.74 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.56 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.577 ' H ' HG13 ' A' ' 35' ' ' ILE . 65.0 t -88.69 116.55 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -134.24 -67.15 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.796 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -161.43 -139.25 2.61 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.355 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -132.08 116.16 16.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.85 0.357 . . . . 0.0 110.81 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -116.99 134.26 54.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -148.18 142.52 26.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.0 m -140.89 146.25 37.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.993 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.8 tpt -126.48 119.41 27.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.957 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.404 ' HG3' HG12 ' B' ' 73' ' ' ILE . 2.8 mp0 -78.97 139.89 38.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.704 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.445 HG22 ' O ' ' B' ' 72' ' ' MET . 34.7 m -117.75 143.34 32.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.847 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 53.1 Cg_endo -101.91 161.72 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.264 2.643 . . . . 0.0 112.613 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.14 141.15 70.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.198 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.74 -42.01 1.92 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.472 2.114 . . . . 0.0 112.551 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.59 150.64 33.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.981 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.57 153.25 32.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.574 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.448 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . 174.1 163.25 27.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.181 -1.009 . . . . 0.0 113.171 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.86 132.9 41.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.744 0.306 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 88.3 t -74.37 125.35 33.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -117.65 -52.32 2.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -137.1 118.55 14.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.401 ' HA ' ' SD ' ' A' ' 72' ' ' MET . 2.2 pt? -73.73 165.58 24.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' HG2' ' HB2' ' A' ' 70' ' ' LEU . 28.2 tptp -110.25 -44.42 3.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -122.86 154.77 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.529 ' N ' HD22 ' A' ' 60' ' ' ASN . 0.9 OUTLIER -94.21 151.1 19.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.813 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.1 t -57.24 122.45 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.012 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.75 0.51 32.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.39 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -104.29 124.83 49.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.876 0.369 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -54.37 173.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.39 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.73 161.18 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -143.96 153.3 42.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.5 p -61.61 126.85 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.82 -7.21 52.81 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.557 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.3 m -103.12 136.86 42.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.75 0.31 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.459 ' HB2' ' HG2' ' A' ' 58' ' ' LYS . 64.6 mt -64.5 167.01 7.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.793 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.4 pt -136.29 -33.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.626 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.42 ' O ' HG22 ' B' ' 46' ' ' VAL . 55.4 tpp -166.1 158.46 14.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.89 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.414 HG12 ' HG3' ' B' ' 45' ' ' GLU . 23.5 mt -128.86 128.68 67.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.448 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 90.0 m-85 -109.0 154.19 22.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 111.852 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -94.72 95.85 9.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.777 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.89 118.94 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.511 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.42 124.39 22.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.78 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 176.61 -161.91 30.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.444 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.73 117.08 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 111.351 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.93 147.45 51.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.836 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.74 -30.04 54.76 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.457 2.104 . . . . 0.0 112.413 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.0 113.55 7.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.963 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -146.12 126.92 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -131.6 91.35 34.36 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.304 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.45 116.58 3.98 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.542 2.161 . . . . 0.0 112.214 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.13 4.8 39.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -68.73 143.93 54.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -74.17 110.81 8.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.006 -179.883 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 82.9 mtp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.69 0.281 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.0 t -114.27 -44.14 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.05 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -66.4 -30.31 70.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -103.25 139.61 38.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.936 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.4 t -104.0 -53.56 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.794 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 61.43 107.38 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.388 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 46.6 t -122.57 123.59 26.96 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.07 152.37 24.36 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.414 2.076 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.1 t70 58.54 100.86 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.323 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 31.1 pt -140.73 139.81 34.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.371 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 10.2 p -77.32 -27.67 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.045 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -87.97 104.8 16.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.92 -64.53 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.768 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 81.1 p -104.5 -51.65 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.003 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -139.64 166.06 25.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.728 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 20.3 t -65.97 138.88 22.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.109 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 48.5 tpp -104.73 -64.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -106.55 151.3 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.431 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -121.37 -33.38 3.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m -109.61 145.53 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.167 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.14 174.88 23.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.462 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -71.65 120.41 17.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -124.25 -170.43 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.677 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 44.7 t -79.47 125.36 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.967 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.87 144.26 26.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 176.46 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.153 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.91 168.6 19.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -88.63 128.98 35.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 80.8 p -120.31 176.31 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.569 HD22 ' H ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -118.37 -176.74 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.96 179.888 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 44.2 mm -60.53 -78.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 56.9 m -159.46 -64.38 0.08 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 p -158.42 140.61 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.829 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -107.47 -20.09 13.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.36 172.56 26.56 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.729 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -130.02 153.16 48.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -137.58 28.21 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -170.08 121.09 0.64 Allowed 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.973 0.416 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 56.7 m -133.63 141.74 47.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.849 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 17.3 tpt -119.25 123.83 45.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.414 ' HG3' HG12 ' A' ' 73' ' ' ILE . 3.1 mp0 -82.59 140.57 33.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.761 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 72' ' ' MET . 35.4 m -118.0 142.89 31.68 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.09 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 62.3 Cg_endo -101.29 166.21 0.35 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.021 2.48 . . . . 0.0 112.487 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.72 141.0 55.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.74 -41.65 2.1 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.28 1.987 . . . . 0.0 112.396 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -150.19 152.71 35.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.979 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.48 148.49 50.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.108 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.408 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . 177.16 168.63 37.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.259 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 33.3 t -97.86 137.46 25.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 111.382 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.5 t -78.14 124.42 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.812 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -117.43 -54.16 2.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.289 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -135.04 120.7 19.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.047 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.41 ' H ' HD23 ' B' ' 57' ' ' LEU . 2.4 pt? -75.74 166.38 23.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.538 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.471 ' HG2' ' HB2' ' B' ' 70' ' ' LEU . 28.3 tptp -110.93 -44.29 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -123.73 152.45 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.254 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.541 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.9 OUTLIER -91.98 151.31 20.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.883 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 61.7 t -57.68 122.23 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.12 -1.61 29.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.436 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -102.22 128.19 48.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 110.817 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -57.26 175.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 p -138.46 160.24 31.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -144.66 154.15 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.072 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 75.4 p -61.81 126.4 27.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.256 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.23 -6.2 53.25 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 64.8 m -103.65 135.87 44.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.334 . . . . 0.0 111.013 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.471 ' HB2' ' HG2' ' B' ' 58' ' ' LYS . 68.5 mt -65.12 165.29 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 25.7 pt -134.5 -34.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.677 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.445 ' O ' HG22 ' A' ' 46' ' ' VAL . 54.5 tpp -165.1 157.51 15.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.774 0.321 . . . . 0.0 111.035 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.404 HG12 ' HG3' ' A' ' 45' ' ' GLU . 16.8 mt -127.33 131.72 70.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.301 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.408 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 80.1 m-85 -111.92 152.68 27.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 111.206 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -93.34 92.71 7.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.264 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.6 p -111.17 123.64 67.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.41 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.34 107.55 4.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.663 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -84.74 2.49 88.08 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.701 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.71 119.88 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.744 0.307 . . . . 0.0 111.074 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.57 149.15 97.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.157 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.13 -179.99 4.44 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.375 2.05 . . . . 0.0 112.0 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.87 114.89 18.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.03 107.62 10.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.197 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.453 ' N ' ' HD2' ' B' ' 85' ' ' PRO . . . -68.93 -50.34 22.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.548 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' B' ' 84' ' ' ALA . 72.8 Cg_endo -76.03 108.3 2.65 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.092 1.861 . . . . 0.0 112.127 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.24 121.07 25.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.236 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt 65.0 148.5 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.173 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 62.3 104.51 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.089 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.931 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.4 mtm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.476 HG23 ' HD3' ' A' ' 3' ' ' LYS . 12.0 m -89.45 -37.81 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.243 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.476 ' HD3' HG23 ' A' ' 2' ' ' VAL . 14.8 mptt -101.66 -177.88 3.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.871 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -92.51 173.47 7.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -82.41 117.19 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 58.65 -178.82 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.021 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 32.6 m -136.52 148.71 64.92 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.85 159.57 48.18 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.307 2.005 . . . . 0.0 112.157 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -133.83 146.14 50.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.053 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.0 mm -100.68 118.58 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 p -67.96 138.62 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -166.5 163.46 17.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -134.9 11.04 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.055 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.0 m -74.63 -40.24 61.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 60.86 105.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.339 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -123.73 139.84 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.22 -50.4 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.756 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.0 t 64.82 123.16 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.325 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.466 ' HE3' ' HA ' ' A' ' 27' ' ' LYS . 88.0 tttt 60.85 101.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.1 t -125.81 -34.18 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.168 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.77 -99.41 2.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.692 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -55.0 145.35 20.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.839 0.352 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 3.7 mppt? -107.66 -80.48 0.57 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.2 m -141.01 -10.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.44 133.9 56.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.161 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.7 6.22 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -93.62 158.19 15.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -106.84 -53.32 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.1 t -143.43 131.44 21.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 34' ' ' LEU . 6.2 mp -100.0 10.89 40.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.705 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp -127.09 174.22 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.4 p -130.3 155.46 46.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.203 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.6 m -89.57 146.45 6.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.141 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -162.28 113.88 1.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.783 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.65 49.37 0.87 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.604 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -144.33 128.93 18.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 11.8 mptt -88.57 105.67 17.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.687 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.02 -85.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.434 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' B' ' 74' ' ' PHE . 47.3 m -57.19 113.19 1.62 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.754 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.7 ttt -122.71 119.62 31.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.311 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.53 ' HG2' HD12 ' B' ' 73' ' ' ILE . 28.4 mt-10 -72.05 141.7 49.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.566 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.2 m -128.04 147.48 63.41 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.273 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -101.73 153.62 0.34 Allowed 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.282 2.655 . . . . 0.0 112.562 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.82 147.38 93.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.762 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -64.16 -52.62 1.51 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.398 2.066 . . . . 0.0 112.435 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -149.69 154.4 38.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.997 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.35 138.03 57.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.395 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.505 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -164.86 -172.74 32.69 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.095 -179.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.3 t -120.21 125.97 74.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.722 0.296 . . . . 0.0 110.397 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.405 HG22 ' SD ' ' A' ' 72' ' ' MET . 89.4 t -71.61 102.42 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.982 0.42 . . . . 0.0 111.212 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 19.0 ptpt -83.03 -45.83 13.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.997 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 40.2 tt0 -163.84 119.03 1.58 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.817 0.342 . . . . 0.0 111.152 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.78 150.11 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.954 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -118.4 -5.61 10.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.812 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.7 m -123.9 146.45 29.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.052 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -108.86 149.16 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.666 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.2 t -63.1 120.66 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.15 -21.86 36.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.393 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -77.79 110.27 12.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.742 0.306 . . . . 0.0 111.007 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -48.97 151.18 1.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.426 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -114.67 160.07 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -141.55 147.16 37.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.783 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.7 m -63.67 123.43 18.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.155 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.46 -16.56 26.65 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.823 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.1 p -87.99 158.3 18.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.777 0.323 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 70' ' ' LEU . 7.2 mp -80.19 147.14 31.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 72' ' ' MET . 19.6 pt -118.51 -44.42 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.43 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.445 ' N ' HG13 ' A' ' 71' ' ' ILE . 50.2 ttm -168.49 149.25 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.656 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.553 HD12 ' HG2' ' B' ' 45' ' ' GLU . 6.5 mm -113.55 134.6 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.153 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.505 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 57.4 m-85 -114.55 133.49 55.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.171 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.419 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 33.6 tt0 -98.62 92.84 5.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.159 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p -92.02 117.55 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.09 0.471 . . . . 0.0 111.239 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -78.86 149.47 32.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.825 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.72 170.93 46.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.645 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.24 151.47 26.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.353 . . . . 0.0 111.16 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.423 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . . . -90.49 125.25 60.35 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.298 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 34.4 Cg_exo -60.23 -31.65 93.3 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.519 2.146 . . . . 0.0 112.382 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.63 -46.38 59.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.0 142.87 50.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.291 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.559 ' H ' ' HD2' ' A' ' 85' ' ' PRO . . . -167.83 -51.97 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.497 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.559 ' HD2' ' H ' ' A' ' 84' ' ' ALA . 88.8 Cg_endo -80.16 178.1 7.53 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.114 1.876 . . . . 0.0 112.215 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.4 -18.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.249 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -78.11 -39.32 41.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.009 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 40.91 30.82 0.11 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.599 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.329 -0.844 . . . . 0.0 110.883 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.602 ' HG3' HG23 ' B' ' 2' ' ' VAL . 17.4 tpt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.695 0.283 . . . . 0.0 110.716 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.602 HG23 ' HG3' ' B' ' 1' ' ' MET . 49.2 t 58.99 93.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.898 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -104.13 127.5 51.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.84 153.57 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -125.42 -179.67 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -107.31 -7.34 16.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.078 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m -111.34 150.7 42.46 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.64 158.72 31.21 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.502 2.135 . . . . 0.0 112.126 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -135.24 -13.82 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.8 mt -93.89 123.04 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.052 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.9 m -130.54 2.84 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -97.74 141.22 31.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -92.19 177.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.1 p -85.8 179.49 7.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -81.48 145.98 30.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.95 137.59 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.214 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 25.5 mmt -105.39 -76.6 0.6 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.586 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 18.0 m 39.84 -158.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 O-C-N 123.67 0.606 . . . . 0.0 112.365 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -112.94 170.02 8.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.707 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 43.7 t -105.45 137.97 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.26 52.65 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.644 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.14 115.34 6.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.727 0.299 . . . . 0.0 110.673 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -138.98 -70.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.106 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 34.4 m -95.96 -1.03 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.348 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.48 5.78 40.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.04 123.23 36.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.091 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -96.17 111.67 23.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -104.6 -27.59 11.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 85.9 p 48.99 85.01 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.25 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 64.1 tp -115.56 115.14 25.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.771 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 7.2 tp -126.2 142.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.006 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 68.1 p -129.9 -43.31 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -168.05 144.99 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -117.24 -62.62 1.55 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.694 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.34 122.57 12.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.392 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -93.84 143.3 26.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 111.059 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 54.03 76.71 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.283 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.02 -79.77 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.739 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 74' ' ' PHE . 51.0 m -62.77 108.5 1.19 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.826 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 22.3 ttt -113.55 125.8 54.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.125 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.553 ' HG2' HD12 ' A' ' 73' ' ' ILE . 32.5 mt-10 -78.88 139.88 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.548 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 15.4 m -124.89 146.17 52.41 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.585 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 77.0 Cg_endo -101.53 154.81 0.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.332 2.688 . . . . 0.0 112.382 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.25 145.82 98.0 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.4 -53.59 1.8 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.429 2.086 . . . . 0.0 112.415 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -148.82 158.83 44.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.872 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.75 134.06 50.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.459 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . -163.18 -164.35 18.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 t -123.06 130.38 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 111.02 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.42 HG22 ' SD ' ' B' ' 72' ' ' MET . 89.6 t -73.68 104.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.104 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' B' ' 56' ' ' GLU . 18.8 ptpt -84.62 -46.94 11.02 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' B' ' 55' ' ' LYS . 39.3 tt0 -162.87 119.78 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -58.34 150.23 22.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -118.52 -5.28 10.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 26.1 m -123.94 146.31 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -108.98 149.44 29.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.719 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 35.3 t -63.06 119.8 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.21 -22.73 32.29 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.611 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -76.9 113.6 14.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.705 0.288 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -52.09 149.55 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.459 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.427 HG11 ' CE1' ' A' ' 74' ' ' PHE . 4.9 p -111.77 161.84 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.824 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -144.41 149.35 35.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.937 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 19.6 m -65.49 122.53 17.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.32 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.89 -16.37 25.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.591 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 96.0 p -88.07 157.43 18.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.896 0.379 . . . . 0.0 111.069 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.431 ' N ' HD12 ' B' ' 70' ' ' LEU . 7.4 mp -80.08 147.04 31.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.439 HG13 ' N ' ' B' ' 72' ' ' MET . 20.1 pt -118.3 -45.32 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.289 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.439 ' N ' HG13 ' B' ' 71' ' ' ILE . 49.7 ttm -168.69 148.43 4.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.53 HD12 ' HG2' ' A' ' 45' ' ' GLU . 4.5 mm -111.49 139.38 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.819 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.459 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 53.3 m-85 -120.77 129.06 53.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.941 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 31.4 tt0 -94.11 92.99 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.0 117.54 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.194 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -81.34 175.51 10.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -96.38 67.94 0.97 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.431 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -121.02 133.52 55.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.1 149.1 65.65 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.53 123.1 7.34 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.443 2.096 . . . . 0.0 112.534 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -164.21 -57.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -145.94 161.03 40.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.32 150.56 97.82 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.108 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.1 159.98 49.55 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.549 2.166 . . . . 0.0 112.35 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -147.42 108.41 4.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -134.99 105.01 6.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -149.81 -27.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.31 -0.853 . . . . 0.0 110.937 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.38 135.33 27.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -103.77 157.85 16.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -106.31 -10.24 16.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.01 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.51 -57.3 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.804 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -121.25 102.08 8.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.718 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.3 t -71.28 131.22 86.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.219 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.78 138.96 24.33 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.335 2.024 . . . . 0.0 112.245 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -107.97 140.12 41.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.582 HG22 HG13 ' A' ' 15' ' ' VAL . 4.5 mp -84.71 -67.74 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.582 HG13 HG22 ' A' ' 10' ' ' ILE . 20.9 m -140.84 -7.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.479 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -96.49 159.95 14.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.9 t -122.84 108.02 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 83.6 m 65.5 133.13 0.02 OUTLIER 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.302 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.34 -54.13 28.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -75.81 133.93 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -70.16 132.36 45.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.72 -20.25 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.181 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -133.29 -5.29 3.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.009 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.6 t -82.36 109.94 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.26 -149.97 21.94 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.591 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -134.91 150.83 50.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.65 ' HG2' HG23 ' A' ' 28' ' ' VAL . 64.1 tttp -125.16 126.66 45.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.752 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.65 HG23 ' HG2' ' A' ' 27' ' ' LYS . 65.2 t 63.89 114.83 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.327 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -141.97 -22.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.278 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.75 -14.05 7.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.234 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -92.09 134.62 34.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -161.48 156.72 23.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.203 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.3 p 47.42 -96.02 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.598 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.9 tp -170.45 -8.05 0.01 OUTLIER 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.657 0.265 . . . . 0.0 111.041 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.8 pt -54.42 140.94 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.202 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.1 p -132.46 -25.68 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.06 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.9 p -92.41 141.8 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -117.27 115.33 25.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.6 120.78 0.67 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.395 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -82.03 145.96 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -165.83 116.52 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.717 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' B' ' 76' ' ' VAL . . . -147.41 -81.64 0.13 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.552 ' HB3' ' HG2' ' B' ' 75' ' ' GLU . 82.8 p -58.45 145.77 37.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.622 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 47.0 tpp -161.72 119.56 2.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.877 0.37 . . . . 0.0 111.165 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.95 140.78 51.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.669 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.458 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 34.0 m -120.91 141.18 32.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.335 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 72.9 Cg_endo -101.61 171.48 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 123.293 2.662 . . . . 0.0 112.58 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.79 134.69 43.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.77 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -63.64 -52.46 1.84 Allowed 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.393 2.062 . . . . 0.0 112.458 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -141.06 152.09 44.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.16 164.46 6.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 162.7 166.29 21.23 Favored Glycine 0 C--N 1.33 0.202 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.885 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.455 HG22 ' HG2' ' B' ' 64' ' ' LYS . 35.1 t -101.01 130.93 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.822 0.344 . . . . 0.0 110.992 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.0 t -71.67 109.77 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -102.62 -32.89 9.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.838 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -165.67 135.6 3.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.298 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.516 HD23 ' H ' ' A' ' 57' ' ' LEU . 2.1 pt? -126.94 163.37 23.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.569 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -121.97 19.36 10.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.254 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.99 147.09 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.197 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -124.98 150.67 46.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.671 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.3 t -62.45 121.13 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.35 -6.07 45.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.544 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -97.48 124.97 41.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 0.0 111.188 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HG2' HG22 ' B' ' 53' ' ' VAL . 95.0 mttt -55.9 174.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.508 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.56 159.24 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.828 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -142.23 154.89 45.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.6 p -63.83 129.96 42.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.12 -6.9 60.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.542 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.1 t -95.15 133.07 39.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.3 mt -69.87 139.32 53.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.779 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.543 HG13 ' H ' ' A' ' 72' ' ' MET . 19.3 pt -106.63 -53.18 6.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.653 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.543 ' H ' HG13 ' A' ' 71' ' ' ILE . 63.9 mtt -148.68 161.11 42.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.862 0.363 . . . . 0.0 111.05 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.6 mt -134.13 124.86 47.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.632 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -103.59 159.13 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 111.258 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.535 ' HG2' ' HB3' ' B' ' 43' ' ' SER . 1.4 tm-20 -142.15 93.01 2.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.872 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.462 ' O ' ' HB1' ' B' ' 42' ' ' ALA . 7.4 m -86.21 158.74 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.463 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -113.13 8.35 18.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 86.22 -6.4 81.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.333 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -117.04 131.71 56.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.699 0.285 . . . . 0.0 110.987 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . . . -66.76 148.33 98.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.125 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 39.7 Cg_exo -60.39 138.84 83.33 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.49 2.126 . . . . 0.0 112.285 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.88 -34.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.62 -68.45 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 55.97 92.27 0.06 OUTLIER Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.45 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.58 119.27 6.28 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.401 2.068 . . . . 0.0 112.068 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -159.35 -46.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.977 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.3 tttm 60.23 17.62 7.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 63.96 118.4 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.277 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.951 179.784 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.6 ttm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.751 0.31 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 43.9 t -58.86 -29.09 39.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 59.44 99.41 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.478 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.12 -178.21 5.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.759 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.1 t -80.31 116.11 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.01 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -88.28 114.34 24.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -116.05 132.36 23.28 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.1 142.31 30.73 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.333 2.022 . . . . 0.0 112.465 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -90.84 147.33 23.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 37.5 pt -125.51 153.25 33.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -160.05 140.32 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.037 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -110.8 127.64 55.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 49.5 t -71.13 118.4 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 65.0 p 48.33 87.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.74 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.508 ' H ' ' CD ' ' B' ' 19' ' ' GLU . 0.0 OUTLIER -84.52 -171.83 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.746 179.769 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 m -63.7 146.98 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 51.3 ttm 59.52 98.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.3 m -139.02 -15.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.187 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -123.16 139.49 54.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.99 -50.31 38.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.85 117.65 2.32 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.39 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.61 110.47 5.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.985 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -128.27 -12.23 5.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.688 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 9.6 m 42.86 -163.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.093 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -159.87 116.59 2.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.21 160.3 14.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.255 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -95.59 -8.59 34.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 59.6 104.48 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.181 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 48.2 t -93.02 106.91 18.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.442 ' N ' HD12 ' B' ' 34' ' ' LEU . 6.1 mp -84.92 111.73 19.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 44.8 pt -95.22 -11.53 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 71.3 m 58.94 94.05 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.601 HG22 ' HG3' ' B' ' 38' ' ' GLU . 14.5 p -79.27 146.19 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.601 ' HG3' HG22 ' B' ' 37' ' ' VAL . 43.3 mt-10 61.15 103.37 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.125 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -147.14 -126.37 1.68 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -107.48 141.85 38.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.738 0.304 . . . . 0.0 110.826 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -90.77 19.42 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.613 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . 62.61 -85.66 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.926 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.535 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 80.0 p -61.52 145.27 52.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.296 179.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 47.3 tpp -158.67 122.38 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 111.172 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.15 140.75 45.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.616 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 34.9 m -120.34 140.88 30.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.427 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -101.75 173.15 0.27 Allowed 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.274 2.65 . . . . 0.0 112.362 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.15 134.7 40.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.421 ' HG3' HG11 ' A' ' 46' ' ' VAL . 30.7 Cg_endo -63.95 -52.17 1.86 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.279 1.986 . . . . 0.0 112.402 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -141.4 152.51 44.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.72 164.96 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.08 170.27 25.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.562 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.442 HG22 ' HG2' ' A' ' 64' ' ' LYS . 39.6 t -101.72 134.14 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.368 . . . . 0.0 111.372 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.44 109.46 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.251 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -102.24 -36.05 8.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -161.6 141.73 10.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.453 HD23 ' H ' ' B' ' 57' ' ' LEU . 2.2 pt? -133.34 162.83 30.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.387 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -122.07 19.59 10.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.219 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 29.5 m -125.89 146.29 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.256 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -124.93 151.28 45.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.644 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.07 120.74 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.42 -8.69 41.12 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.596 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.65 130.85 40.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.455 ' HG2' HG22 ' A' ' 53' ' ' VAL . 95.7 mttt -61.71 176.76 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.089 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.27 159.83 22.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -143.98 155.65 44.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.968 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 72.3 p -64.74 130.11 42.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.091 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.78 -6.17 60.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.439 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 46.9 t -95.93 132.58 41.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 78.1 mt -69.79 139.02 53.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.514 HG13 ' N ' ' B' ' 72' ' ' MET . 19.6 pt -106.33 -51.73 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.46 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.514 ' N ' HG13 ' B' ' 71' ' ' ILE . 65.1 mtt -150.43 161.96 41.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.896 0.379 . . . . 0.0 111.229 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 39.8 mt -135.25 127.85 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.329 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -107.6 160.29 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.928 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.552 ' HG2' ' HB3' ' A' ' 43' ' ' SER . 1.7 tm-20 -142.79 92.98 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.942 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.492 ' O ' ' HB1' ' A' ' 42' ' ' ALA . 2.7 m -84.47 158.6 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.204 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -115.49 -28.88 6.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.778 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.54 -40.67 2.61 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.57 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.36 139.69 35.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.73 0.3 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.41 145.92 98.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.05 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.81 -43.45 0.84 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.453 2.102 . . . . 0.0 112.291 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -137.7 144.16 41.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.47 112.62 13.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.158 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -147.5 85.07 6.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -73.72 163.2 37.86 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.488 2.126 . . . . 0.0 112.239 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.96 102.41 5.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.037 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -163.55 128.79 3.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -137.91 119.22 14.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.82 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.95 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.885 0.374 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.0 m -100.59 171.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -97.76 43.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.702 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 61.99 20.87 11.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -159.4 139.93 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.094 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -165.26 -8.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.7 m -88.67 151.07 47.33 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.18 129.22 21.16 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.412 2.074 . . . . 0.0 112.306 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -136.06 -49.65 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.0 mt -98.84 119.39 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.1 t -99.51 136.6 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.285 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -123.61 142.33 51.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.804 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.2 p -166.24 142.52 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.6 m -69.78 121.83 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.996 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -129.26 139.87 51.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.042 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -95.66 -42.56 12.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.058 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.7 mtm -101.5 122.38 43.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.8 t -105.82 -64.14 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -152.57 117.71 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.636 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -79.06 -69.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.395 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.16 119.7 5.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.83 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.88 165.51 13.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 110.473 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -76.19 107.18 8.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.765 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.5 m -106.23 -30.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.072 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.25 87.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.143 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -163.43 -175.93 4.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -103.05 138.25 40.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -73.59 -58.2 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.9 t 64.35 125.45 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.457 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.8 mm? -101.45 151.05 22.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.7 tt -89.24 137.15 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -153.58 152.89 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.0 m -94.47 163.36 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -104.8 163.74 12.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.31 -114.41 0.52 Allowed Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.112 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -69.74 144.92 52.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.623 0.249 . . . . 0.0 110.565 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -137.86 -58.28 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -163.6 -83.33 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 83.3 p -62.48 142.5 57.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.193 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.3 tpp -149.85 119.12 6.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.414 ' HG3' HG12 ' B' ' 73' ' ' ILE . 2.6 mp0 -71.29 154.21 41.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.823 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.429 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 35.8 m -127.9 138.29 32.6 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.561 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 64.7 Cg_endo -101.52 159.56 0.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.231 2.621 . . . . 0.0 112.634 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.36 130.89 85.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.82 -37.8 33.31 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.351 2.034 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -150.0 145.87 26.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.4 157.76 22.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.767 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.04 -165.96 38.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.996 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.0 t -120.59 139.01 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.682 0.277 . . . . 0.0 110.783 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.5 t -71.76 108.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.012 0.434 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -66.77 -63.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.039 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -162.35 141.59 9.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.92 132.01 52.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.642 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -120.6 -5.72 9.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.097 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.7 m -135.33 139.74 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 111.096 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.528 ' N ' HD22 ' A' ' 60' ' ' ASN . 0.9 OUTLIER -91.03 147.93 22.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.3 t -65.09 127.61 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.43 1.08 60.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.444 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -94.71 106.88 18.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 111.018 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -48.32 148.75 1.77 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.964 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 66' ' ' LYS . 3.4 p -109.73 164.68 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.291 -179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.403 ' H ' HG22 ' A' ' 65' ' ' VAL . 38.6 mtmm -142.06 154.17 44.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.591 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.3 p -65.82 122.37 17.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.117 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.18 -5.03 30.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.679 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.5 p -112.4 122.07 46.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.788 0.327 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.577 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 2.7 pt? -60.69 155.97 17.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 72' ' ' MET . 22.0 pt -117.18 -43.76 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.313 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.45 ' N ' HG13 ' A' ' 71' ' ' ILE . 89.6 mtp -144.06 166.21 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.806 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.406 HG12 ' HG3' ' B' ' 45' ' ' GLU . 36.8 mt -137.12 129.31 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.986 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -109.81 161.67 15.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.459 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.456 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 0.8 OUTLIER -130.18 92.75 3.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.028 179.415 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.9 p -102.81 117.62 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.186 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -124.04 100.54 6.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 62.56 -122.36 27.82 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.86 146.39 42.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.689 0.28 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . . . -63.5 127.0 90.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 48.5 Cg_exo -56.01 112.84 1.19 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.425 2.083 . . . . 0.0 112.261 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -163.78 -176.49 4.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.009 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.36 -84.52 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.441 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.67 113.03 25.67 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.15 -178.46 3.24 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.394 2.063 . . . . 0.0 112.314 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -154.5 -21.35 0.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -125.83 -27.47 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.98 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -84.92 -28.61 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.687 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.097 179.851 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.8 tpp . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 120.765 0.317 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t 58.24 93.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -70.02 169.88 12.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.003 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.566 ' HG2' HG23 ' B' ' 5' ' ' VAL . 35.0 tt0 -120.94 150.25 41.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.566 HG23 ' HG2' ' B' ' 4' ' ' GLU . 48.8 t 62.14 109.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.418 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -87.38 -63.5 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m -96.33 147.61 33.23 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.91 139.45 90.9 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.443 2.095 . . . . 0.0 112.478 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -116.16 123.39 47.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.694 ' H ' HD13 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -131.97 8.06 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.18 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 44.4 t -110.03 -73.96 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.154 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -74.55 131.39 40.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -101.86 147.43 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.973 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -72.74 148.69 44.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -79.36 152.98 30.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.726 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 44.3 t -60.17 131.53 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.272 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 27.7 ttt -96.57 137.2 36.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.736 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 17.8 t -92.2 137.13 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.142 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' B' ' 23' ' ' LYS . 0.0 OUTLIER -98.52 -23.09 15.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.824 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 29.6 m -93.99 6.31 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.018 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.76 149.31 6.2 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.625 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -74.94 129.97 38.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -154.15 156.83 37.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.042 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.9 p -129.7 142.12 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -142.67 -3.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.355 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.29 136.04 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -89.58 143.96 26.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.007 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -69.91 -32.17 70.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.699 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 47.5 t -135.9 137.14 41.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.76 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.494 ' N ' HD12 ' B' ' 34' ' ' LEU . 6.0 mp -93.83 -21.92 18.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.752 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.4 mt -73.6 110.26 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 68.7 p -134.89 -51.26 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.034 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 33.5 m -125.29 175.57 7.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -119.63 150.83 39.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -156.93 99.56 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.444 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.03 144.63 30.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 110.774 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? 61.88 91.64 0.06 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.717 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.27 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.456 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 79.0 p -67.52 136.12 54.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.663 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 51.5 tpp -140.72 122.6 15.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.406 ' HG3' HG12 ' A' ' 73' ' ' ILE . 2.6 mp0 -74.46 153.48 39.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.526 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 26.8 m -126.21 137.74 30.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.971 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.577 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 75.8 Cg_endo -101.44 162.73 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.175 2.583 . . . . 0.0 112.643 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.91 130.39 81.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.86 -38.85 21.78 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.352 2.035 . . . . 0.0 112.488 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -149.05 145.83 27.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.811 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.33 157.51 31.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.19 -162.34 35.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 40.1 t -121.7 139.75 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.878 0.371 . . . . 0.0 111.273 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.56 108.47 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.095 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -66.52 -65.25 0.7 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.042 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -160.97 142.56 11.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.28 132.49 54.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.67 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -120.68 -7.36 9.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.19 139.91 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.113 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.532 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.9 OUTLIER -91.6 147.56 22.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 39.8 t -65.13 126.84 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.36 -0.92 58.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.364 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -93.07 111.16 22.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.68 0.276 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -52.47 149.57 5.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 p -109.2 164.43 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.21 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -143.48 154.88 44.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.784 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 62.3 p -66.52 120.22 13.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.57 -8.9 24.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.636 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 89.6 p -109.68 124.8 51.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 2.7 pt? -63.75 157.66 23.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.444 HG13 ' N ' ' B' ' 72' ' ' MET . 23.7 pt -118.01 -42.69 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.353 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.444 ' N ' HG13 ' B' ' 71' ' ' ILE . 88.0 mtp -145.91 166.19 26.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.414 HG12 ' HG3' ' A' ' 45' ' ' GLU . 22.6 mt -136.73 134.84 48.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.563 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -115.54 161.27 18.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.955 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.501 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 1.0 OUTLIER -129.9 93.49 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.094 179.635 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.64 117.51 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.266 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -127.67 101.84 6.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.023 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.42 63.24 5.18 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.729 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.79 117.74 10.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.38 145.43 30.6 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.281 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.03 -58.67 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.403 2.069 . . . . 0.0 112.451 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.76 159.99 16.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.88 -6.57 32.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.047 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -130.14 144.15 52.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.037 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -83.16 127.83 4.74 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.577 2.184 . . . . 0.0 112.722 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.15 165.14 12.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -75.35 100.35 4.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.662 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -144.14 -45.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.166 -0.921 . . . . 0.0 110.995 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.2 mmt . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.582 HG22 ' H ' ' A' ' 4' ' ' GLU . 9.9 p -96.27 141.46 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.44 19.27 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.686 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.582 ' H ' HG22 ' A' ' 2' ' ' VAL . 20.4 mm-40 58.62 79.57 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.033 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 m -124.12 -3.38 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.743 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -65.04 -36.69 85.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.772 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.7 t -133.87 130.34 20.55 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -56.71 131.99 49.01 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.476 2.117 . . . . 0.0 112.366 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -100.83 141.22 34.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.8 mm 61.57 104.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.2 t -78.95 102.82 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -146.78 -21.32 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.757 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -60.08 -24.66 30.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.561 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 t -64.35 136.77 57.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.89 0.376 . . . . 0.0 111.18 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -136.28 -12.73 1.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.776 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.6 m -55.56 150.84 2.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.404 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.15 169.42 11.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -165.93 -32.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.048 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' N ' ' HD2' ' A' ' 23' ' ' LYS . 1.0 OUTLIER 59.91 104.3 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.392 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -93.11 119.03 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.982 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.35 -143.73 39.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.422 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -96.21 116.07 28.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.359 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -141.61 150.14 41.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.0 m -80.8 119.59 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.274 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -167.73 -64.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.005 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.34 131.14 17.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.001 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -161.35 122.43 2.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 59.55 102.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.392 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.4 m -104.91 155.27 19.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.605 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 34' ' ' LEU . 7.8 mp -82.29 101.91 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.064 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.7 mt -125.34 111.08 26.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 t -117.95 -17.22 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.271 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.5 t -94.14 113.4 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -116.04 -10.92 11.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.85 165.69 11.9 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.448 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.58 131.82 51.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.85 0.357 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -167.49 28.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.305 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.18 142.38 28.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.964 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.3 p -143.74 146.37 33.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.595 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 87.6 mtp -131.16 119.51 22.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.109 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.558 ' HB3' HD23 ' B' ' 70' ' ' LEU . 29.9 mt-10 -69.19 146.44 52.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.691 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.3 m -123.49 140.22 33.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.296 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.565 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 69.8 Cg_endo -102.08 166.87 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.307 2.671 . . . . 0.0 112.611 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.38 150.37 57.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.09 -43.81 0.68 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.487 2.124 . . . . 0.0 112.932 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.504 ' HA ' HG22 ' B' ' 67' ' ' THR . 37.5 p90 -150.05 158.55 44.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.794 0.331 . . . . 0.0 111.126 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.6 156.98 21.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.754 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.84 -170.92 43.98 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.945 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -128.08 124.86 63.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.7 0.286 . . . . 0.0 110.736 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -74.25 103.08 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -123.52 -6.47 8.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.215 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -163.33 110.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.893 0.378 . . . . 0.0 111.258 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 pp -95.67 172.06 8.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.776 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -128.03 -18.81 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.298 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.1 m -125.45 142.25 42.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.831 0.348 . . . . 0.0 111.604 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -99.66 151.19 21.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.3 t -53.69 126.28 9.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.313 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.36 14.03 39.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.398 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -109.05 115.23 29.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.959 0.409 . . . . 0.0 111.043 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -50.52 156.59 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.341 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 p -120.5 157.52 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -140.7 149.46 42.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.475 HG22 ' HA ' ' B' ' 50' ' ' PHE . 41.5 p -58.48 119.64 7.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.175 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.71 2.9 52.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.588 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 65.1 m -103.41 145.78 29.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.757 0.313 . . . . 0.0 110.78 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.57 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 8.5 mp -81.8 171.56 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.59 HG13 ' H ' ' A' ' 72' ' ' MET . 10.0 pt -132.1 -55.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.476 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.59 ' H ' HG13 ' A' ' 71' ' ' ILE . 66.3 mtt -146.96 174.59 11.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.875 0.369 . . . . 0.0 111.21 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.439 HG12 ' HG2' ' B' ' 45' ' ' GLU . 35.7 mt -130.98 129.74 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -106.13 141.53 37.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.624 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -90.36 93.84 9.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.635 178.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 p -113.15 118.19 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.271 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.409 ' HA ' ' HB3' ' B' ' 42' ' ' ALA . 12.5 pt-20 -54.0 143.53 21.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.098 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.64 25.05 13.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.295 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.77 153.48 22.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.25 155.02 81.33 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.04 108.66 0.69 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.485 2.123 . . . . 0.0 112.162 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -154.2 -8.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.95 12.05 1.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.276 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.13 148.61 84.33 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.056 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.37 129.14 33.17 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.48 2.12 . . . . 0.0 112.294 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -162.03 -1.79 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -88.02 122.19 31.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 59.21 -173.06 0.11 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.264 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.954 -179.926 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -102.78 106.55 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.45 ' HD3' ' N ' ' B' ' 3' ' ' LYS . 0.0 OUTLIER -103.7 120.09 40.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.564 179.708 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 59.23 -167.82 0.16 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 22.6 m -83.58 136.62 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.359 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -172.33 -175.51 1.41 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.674 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -128.52 152.05 77.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.67 140.69 84.4 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.552 2.168 . . . . 0.0 112.295 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -98.75 8.43 44.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 37.8 pt -78.31 146.02 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 31.3 m -91.48 159.25 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.03 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -145.45 109.43 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.8 t -119.82 137.79 52.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.034 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 59.5 p -77.07 164.12 26.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.342 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.14 169.46 16.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 14.5 p -84.68 -18.3 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 52.4 ttm -60.84 114.5 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 64.1 t 60.15 101.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.28 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -85.22 -172.45 4.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.77 -35.16 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.996 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.1 179.87 20.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -110.58 97.24 6.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.729 0.3 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -130.38 95.71 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.807 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.1 p -159.5 -29.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.34 157.95 22.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.23 -162.98 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -89.46 4.89 47.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 57.1 -170.87 0.09 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 38.9 t -116.54 172.14 7.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.0 tp -136.65 122.55 20.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.977 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 72.7 mt -86.35 115.86 28.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.014 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 91.7 m -117.85 127.32 53.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 44.1 t -108.99 95.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -128.71 153.42 47.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -116.44 -155.39 10.43 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.52 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -158.17 114.97 2.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.768 0.318 . . . . 0.0 110.923 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' B' ' 41' ' ' LYS . 10.9 mptt -114.79 -61.37 1.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.764 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 77' ' ' GLU . . . 67.4 123.43 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.559 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 87.8 p -139.67 140.16 36.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.651 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 88.2 mtp -122.42 123.42 41.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.372 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.555 ' HB3' HD23 ' A' ' 70' ' ' LEU . 35.9 mt-10 -72.48 146.52 46.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 26.8 m -122.9 139.64 31.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.414 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.57 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 91.7 Cg_endo -101.77 169.98 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.201 2.6 . . . . 0.0 112.537 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.47 149.03 48.18 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.42 -43.86 0.91 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.432 2.088 . . . . 0.0 112.65 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.475 ' HA ' HG22 ' A' ' 67' ' ' THR . 39.3 p90 -150.19 161.79 41.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.885 0.374 . . . . 0.0 111.115 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.92 156.46 39.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.28 -163.76 35.37 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.323 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -129.0 132.26 67.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 111.457 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.9 t -79.74 103.72 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.831 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -125.37 -6.15 7.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.359 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -162.68 111.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 111.119 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.71 171.49 8.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -127.5 -18.5 4.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.39 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.69 142.72 41.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.885 0.374 . . . . 0.0 111.493 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -100.15 151.31 21.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.656 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -54.26 126.84 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.68 9.41 49.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -104.45 120.3 40.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.793 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -55.94 156.11 5.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.075 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.81 159.49 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.784 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -143.97 149.61 37.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 50' ' ' PHE . 67.3 p -58.5 120.18 8.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.265 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.04 1.21 51.63 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.8 m -102.62 145.51 29.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.565 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 8.1 mp -82.12 170.33 15.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.558 HG13 ' H ' ' B' ' 72' ' ' MET . 11.1 pt -131.36 -54.34 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.717 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.558 ' H ' HG13 ' B' ' 71' ' ' ILE . 67.3 mtt -148.26 174.02 12.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.959 0.409 . . . . 0.0 111.091 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 36.3 mt -129.33 136.07 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.359 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -113.44 137.89 50.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.767 0.318 . . . . 0.0 111.188 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -86.83 92.34 8.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.939 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 p -110.43 120.08 60.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.188 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.45 143.04 36.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.783 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.05 116.0 5.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.625 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.25 154.23 18.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.719 0.295 . . . . 0.0 110.945 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.65 145.01 97.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.143 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.64 -37.57 5.23 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.46 2.107 . . . . 0.0 112.254 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -140.0 -14.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . 58.25 28.66 16.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.546 ' H ' ' HD2' ' B' ' 85' ' ' PRO . . . -96.13 -51.0 0.23 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.706 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . 0.546 ' HD2' ' H ' ' B' ' 84' ' ' ALA . 59.4 Cg_endo -71.93 -32.14 11.64 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.109 1.873 . . . . 0.0 112.204 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.52 -60.82 1.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.833 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 60.5 tttp 63.04 165.63 0.12 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.012 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -64.61 -13.19 52.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.391 -0.814 . . . . 0.0 110.801 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mmm . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.8 m -95.23 8.07 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.303 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -83.87 -23.46 31.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.092 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -126.44 112.47 15.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -106.5 -175.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -63.9 -62.44 1.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.986 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -75.34 131.26 78.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.72 133.98 14.59 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.348 2.032 . . . . 0.0 112.316 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -154.57 -14.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.5 mm 60.84 102.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.64 130.64 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.168 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -87.82 141.35 28.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.506 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.1 m -120.3 167.56 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.276 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.545 HG22 ' H ' ' A' ' 20' ' ' VAL . 32.9 m -148.81 -88.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 51.66 23.47 1.97 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.695 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.545 ' H ' HG22 ' A' ' 18' ' ' THR . 8.3 p -104.66 -25.07 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.77 0.319 . . . . 0.0 111.2 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -122.16 -17.42 7.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.218 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.7 p -164.53 144.73 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -138.5 -66.79 0.48 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.799 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.56 -31.07 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -120.18 165.71 13.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.44 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -84.63 159.2 20.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.311 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -155.07 138.23 15.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.658 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.7 p -99.34 145.13 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.81 153.01 36.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.072 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.39 178.26 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -106.96 139.66 41.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -139.03 173.84 11.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.1 t -102.19 161.38 13.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.8 mt -135.5 -12.54 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.1 mt 60.88 102.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.34 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.597 HG23 ' H ' ' A' ' 38' ' ' GLU . 8.6 t -137.4 174.31 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.963 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.62 5.07 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.299 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.597 ' H ' HG23 ' A' ' 36' ' ' THR . 9.9 mm-40 60.67 -88.47 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.306 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -139.13 25.64 2.76 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.787 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -87.88 152.76 21.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 111.0 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -64.25 165.78 8.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.426 ' HA ' HG13 ' B' ' 76' ' ' VAL . . . -69.55 -90.8 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.982 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.616 ' HA ' ' HA ' ' B' ' 75' ' ' GLU . 80.2 p -58.06 116.48 3.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.998 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 54.7 ttp -132.55 119.46 20.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.459 ' HB2' HD12 ' B' ' 70' ' ' LEU . 11.4 pt-20 -77.98 131.45 37.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.635 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 27.4 m -110.42 146.98 35.42 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.244 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 60.6 Cg_endo -101.55 165.85 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.28 2.653 . . . . 0.0 112.376 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.24 142.37 89.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.962 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.415 ' HG3' HG11 ' B' ' 46' ' ' VAL . 41.9 Cg_endo -67.19 -44.53 4.84 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.554 2.17 . . . . 0.0 112.509 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -149.89 151.97 34.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.013 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.76 136.99 57.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.289 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.564 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . -166.16 -174.59 35.73 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.112 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.515 HG22 ' HG3' ' B' ' 64' ' ' LYS . 36.9 t -128.63 143.47 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.654 0.264 . . . . 0.0 110.465 179.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.571 HG11 ' H ' ' B' ' 62' ' ' GLY . 94.1 t -71.62 110.64 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -99.39 -41.87 7.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -148.08 132.88 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.148 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.2 tp -85.04 142.38 29.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.973 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -134.01 1.77 3.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.279 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.7 m -139.11 142.78 32.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.928 0.394 . . . . 0.0 111.328 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.544 ' N ' HD22 ' A' ' 60' ' ' ASN . 0.9 OUTLIER -103.12 151.26 22.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.785 179.829 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.2 125.26 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.847 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.621 ' H ' HG11 ' B' ' 54' ' ' VAL . . . 90.35 8.09 66.64 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.125 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -98.37 113.66 25.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 111.114 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.529 ' HG3' HG22 ' B' ' 53' ' ' VAL . 88.2 tttt -45.21 141.17 2.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.385 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 66' ' ' LYS . 9.5 p -109.52 162.59 7.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.941 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' N ' HG22 ' A' ' 65' ' ' VAL . 68.7 mttm -143.1 148.41 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.851 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.8 m -62.69 120.59 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.11 -14.36 31.16 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.444 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.1 t -86.34 148.1 25.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' B' ' 45' ' ' GLU . 3.6 mm? -75.28 133.6 41.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.797 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.557 HG13 ' H ' ' A' ' 72' ' ' MET . 13.5 pt -108.11 -52.8 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.426 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.557 ' H ' HG13 ' A' ' 71' ' ' ILE . 26.1 mmt -148.65 156.76 42.83 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.3 mp -131.83 129.65 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.378 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.564 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 23.4 m-85 -121.28 139.31 53.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.536 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.614 ' HA ' ' HA ' ' B' ' 43' ' ' SER . 38.6 tt0 -103.09 92.39 4.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.935 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 p -82.88 117.63 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.375 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -90.48 128.85 36.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.453 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.25 -36.93 90.92 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.863 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.22 146.7 52.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.93 0.395 . . . . 0.0 111.335 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.16 151.08 75.29 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.092 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.8 -16.63 29.62 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.312 2.008 . . . . 0.0 112.216 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 57.6 -166.27 0.15 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.175 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.52 -35.81 81.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 56.56 86.27 0.17 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.299 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -57.24 131.58 45.86 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.616 2.211 . . . . 0.0 112.254 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.74 -10.03 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -160.17 98.9 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 59.12 108.53 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.503 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.843 179.935 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.66 0.267 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 40.4 t 60.18 99.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.299 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -154.24 157.06 38.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.777 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.95 173.2 0.81 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.03 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 29.4 t -66.02 107.79 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.937 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -144.53 141.12 29.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.702 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 34.0 m -62.63 149.69 88.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.337 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.93 151.44 45.25 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.415 2.076 . . . . 0.0 112.178 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -165.87 127.42 1.9 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.062 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.477 ' N ' HD12 ' B' ' 10' ' ' ILE . 3.8 mp 58.18 100.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.235 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.8 p -165.74 -25.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -84.16 -18.52 36.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -115.6 152.33 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.0 t -162.63 -38.05 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.407 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 58.86 95.89 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.259 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -102.68 140.48 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 27.7 ttt 61.3 -83.5 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.15 141.15 18.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.758 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -149.25 -61.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.686 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t 59.57 92.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.192 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -115.42 33.67 5.15 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.251 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -83.5 134.44 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 110.82 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -127.13 -20.83 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.771 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 28.6 m -93.27 138.8 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.85 179.82 5.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.58 -34.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.49 170.58 8.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.89 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -78.35 128.89 34.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 47.8 t -71.71 162.51 29.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.013 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.418 ' N ' HD12 ' B' ' 34' ' ' LEU . 6.6 mp -90.14 9.19 29.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.748 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.1 mt -92.6 -65.7 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 63.2 m -67.25 138.87 57.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 14.3 t -104.2 -57.39 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.24 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -122.6 139.36 54.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.081 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.16 -64.61 0.6 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.448 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -126.94 141.99 51.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.644 0.259 . . . . 0.0 110.662 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -140.25 -53.44 0.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.223 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . 62.89 -85.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.614 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 80.7 p -61.11 117.35 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.364 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 57.3 ttp -129.9 119.97 24.13 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.981 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.445 ' HB2' HD12 ' A' ' 70' ' ' LEU . 10.4 pt-20 -78.17 133.24 37.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.793 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.415 HG11 ' HG3' ' A' ' 49' ' ' PRO . 20.6 m -111.12 145.91 33.44 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.323 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -101.6 166.14 0.33 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.159 2.572 . . . . 0.0 112.275 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.72 142.68 88.73 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.421 ' HG3' HG11 ' A' ' 46' ' ' VAL . 39.7 Cg_endo -67.15 -45.43 3.91 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.389 2.06 . . . . 0.0 112.551 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -149.19 156.15 41.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.21 136.99 56.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.569 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . -169.12 -168.91 31.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.525 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.529 HG22 ' HG3' ' A' ' 64' ' ' LYS . 24.2 t -129.7 146.57 33.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 111.467 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.621 HG11 ' H ' ' A' ' 62' ' ' GLY . 70.6 t -71.66 112.68 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -103.11 -39.68 6.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.064 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -149.48 134.18 17.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 57.0 tp -86.9 141.59 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.737 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -133.27 1.99 3.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.29 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 31.5 m -139.11 142.28 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 111.406 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.519 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.9 OUTLIER -103.1 149.64 24.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.763 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 42.2 t -65.38 125.86 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . 0.571 ' H ' HG11 ' A' ' 54' ' ' VAL . . . 91.98 3.1 68.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.077 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.24 121.01 34.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.31 . . . . 0.0 110.79 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.515 ' HG3' HG22 ' A' ' 53' ' ' VAL . 88.1 tttt -52.79 141.99 19.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.061 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.433 HG11 ' CZ ' ' A' ' 74' ' ' PHE . 5.6 p -108.74 162.04 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.07 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -144.16 150.72 38.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.905 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 25.3 m -64.54 121.03 13.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.78 -14.59 31.97 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.567 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 41.8 t -85.82 148.56 25.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.459 HD12 ' HB2' ' A' ' 45' ' ' GLU . 3.5 mm? -76.2 134.43 39.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.546 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.545 HG13 ' H ' ' B' ' 72' ' ' MET . 14.2 pt -109.12 -52.63 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.484 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.545 ' H ' HG13 ' B' ' 71' ' ' ILE . 25.4 mmt -149.12 155.58 40.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.899 0.38 . . . . 0.0 111.124 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.436 ' N ' HD12 ' B' ' 73' ' ' ILE . 4.2 mp -129.39 133.33 65.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.061 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.569 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 24.2 m-85 -125.09 135.56 52.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.609 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.616 ' HA ' ' HA ' ' A' ' 43' ' ' SER . 33.1 tt0 -99.94 92.65 5.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.31 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.426 HG13 ' HA ' ' A' ' 42' ' ' ALA . 1.6 p -81.96 117.74 28.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.279 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -93.63 139.83 30.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.785 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 131.65 10.11 2.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.582 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.11 132.66 48.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.85 0.357 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.76 154.27 70.61 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.87 166.26 8.81 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.404 2.07 . . . . 0.0 112.151 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -127.79 147.9 50.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.23 144.28 26.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.487 ' HB3' ' HD3' ' B' ' 85' ' ' PRO . . . -68.18 -50.91 28.05 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . 0.487 ' HD3' ' HB3' ' B' ' 84' ' ' ALA . 86.8 Cg_endo -77.84 157.94 31.3 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.173 1.916 . . . . 0.0 112.333 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -154.14 173.78 15.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -100.25 152.84 19.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 58.02 95.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.147 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.938 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.785 0.326 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 66.2 t -124.26 133.93 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -98.45 128.72 44.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.704 179.771 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -85.83 120.33 27.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.032 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.2 t 65.49 138.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.411 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -70.18 124.29 23.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.804 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.67 131.6 84.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.66 142.74 44.68 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.389 2.059 . . . . 0.0 112.127 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -74.08 -38.37 63.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.197 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.2 mt 60.06 99.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -112.3 -12.83 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.089 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.97 -37.08 71.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -140.98 158.17 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 0.0 111.359 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.5 m -134.7 109.11 8.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.78 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -107.96 142.0 38.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.75 137.09 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.758 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.0 ptt? -117.79 -11.81 10.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.177 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.5 t -96.95 110.17 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.065 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -98.06 157.26 16.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.4 m -77.09 -11.39 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.014 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.1 75.04 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.277 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -119.03 122.66 42.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.996 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -99.84 -177.02 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.73 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 43.3 t -83.45 99.4 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.83 117.21 20.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.51 -31.52 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.46 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -77.52 178.98 6.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -100.42 -65.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.6 m -78.97 138.36 38.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.8 mt -102.55 -59.13 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.061 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.6 pt -89.75 128.14 41.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.336 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 p -141.48 -177.58 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.838 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 p -127.22 123.9 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.013 0.435 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -133.41 111.81 11.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.858 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.9 -36.67 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -105.59 114.49 28.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.763 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.81 -165.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.816 -179.877 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.5 ' HB1' HG22 ' B' ' 76' ' ' VAL . . . -94.52 -64.46 1.07 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.351 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.618 ' HB3' ' HG3' ' B' ' 75' ' ' GLU . 82.3 p -57.97 137.49 56.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.538 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 94.9 mmm -148.29 123.7 10.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.87 0.367 . . . . 0.0 111.312 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.2 150.45 42.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.528 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.45 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 27.3 m -127.49 138.89 33.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.204 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 87.5 Cg_endo -101.84 168.8 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.314 2.676 . . . . 0.0 112.453 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.91 134.1 68.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -68.04 -44.53 3.76 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.318 2.012 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -145.29 142.58 29.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.72 141.63 37.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.579 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.16 -162.12 15.59 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.945 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' B' ' 64' ' ' LYS . 61.7 t -134.9 137.14 51.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.743 0.306 . . . . 0.0 110.501 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.69 106.13 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.016 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.93 -56.61 3.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.85 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -155.8 112.34 3.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.459 HD13 HG21 ' B' ' 61' ' ' VAL . 2.1 pt? -57.42 151.7 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -111.34 -22.6 11.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.91 144.27 35.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -97.72 145.99 25.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.455 HG21 HD13 ' B' ' 57' ' ' LEU . 41.1 t -62.33 127.74 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.99 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.28 -4.8 31.53 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.633 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -107.46 117.69 34.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.753 0.311 . . . . 0.0 111.085 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -51.19 153.97 1.8 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.8 p -111.1 161.67 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.204 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -141.68 139.41 32.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.659 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.4 m -58.25 126.19 26.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.7 -15.83 23.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.369 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -96.1 164.09 12.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 70' ' ' LEU . 7.5 mp -89.6 154.56 19.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.754 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.501 HG13 ' N ' ' A' ' 72' ' ' MET . 16.7 pt -122.76 -51.32 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.28 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.501 ' N ' HG13 ' A' ' 71' ' ' ILE . 72.0 mtm -150.8 163.22 39.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.888 0.375 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.1 mt -136.41 129.13 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.417 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -107.8 161.14 15.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.103 0.477 . . . . 0.0 111.597 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.48 ' HG3' ' HB3' ' B' ' 43' ' ' SER . 34.3 tt0 -135.6 92.28 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.741 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.458 ' O ' ' HB1' ' B' ' 42' ' ' ALA . 5.3 m -81.62 159.23 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.197 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -127.24 25.6 6.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.003 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.17 75.25 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.584 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.41 127.79 56.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.791 0.329 . . . . 0.0 110.98 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.1 150.35 87.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.986 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -68.78 -48.08 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.309 2.006 . . . . 0.0 112.159 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 58.66 -172.69 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.38 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.48 -3.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -135.21 93.61 16.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -52.23 -46.05 35.29 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.565 2.176 . . . . 0.0 112.49 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 62.67 -80.95 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.4 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm 61.75 -177.12 0.12 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.062 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -92.09 169.39 10.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.747 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.911 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttm . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 p -95.83 148.24 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.22 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? 62.34 109.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.249 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -95.79 162.06 13.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.2 t -98.2 112.46 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -168.24 90.6 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.174 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 36.4 t -70.1 126.55 92.45 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.03 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.34 163.99 35.09 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.269 1.979 . . . . 0.0 112.258 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.52 122.61 26.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 36.1 pt -65.47 170.11 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.247 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 36.0 m -131.16 -6.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.421 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.29 129.67 34.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.041 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.7 p -169.52 140.67 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.0 p -136.87 141.55 42.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -125.78 -47.17 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 41.7 t -132.45 133.49 59.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 96.3 mmm -111.48 108.07 17.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -107.54 -46.05 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -102.43 125.77 49.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 48.1 t -127.43 -67.95 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.39 78.34 0.24 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.287 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -119.47 141.97 48.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 111.051 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -87.19 154.66 20.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.591 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.44 138.39 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 62.4 103.22 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.31 170.72 7.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.999 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -148.95 118.76 7.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -133.8 -67.9 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.724 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 56.4 m 63.01 117.68 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.293 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 71.1 mt -59.18 159.79 7.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.475 ' N ' HD12 ' B' ' 35' ' ' ILE . 4.0 mp -78.83 120.59 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.988 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 26.9 m 63.65 115.25 0.02 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.381 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -114.04 151.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.008 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -62.48 141.05 58.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.03 -37.29 22.49 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.427 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.8 148.38 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -116.78 -20.42 9.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -92.05 -69.99 0.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.169 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.48 ' HB3' ' HG3' ' A' ' 75' ' ' GLU . 78.2 p -60.27 133.52 56.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.768 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 95.1 mmm -143.65 128.1 17.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.277 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.94 150.49 34.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.622 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.471 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.8 m -126.75 138.62 32.92 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.436 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 68.6 Cg_endo -101.66 171.6 0.29 Allowed 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.225 2.616 . . . . 0.0 112.179 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.47 134.66 57.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.816 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.87 -42.95 3.9 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.375 2.05 . . . . 0.0 112.558 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -147.0 143.65 28.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.74 140.24 56.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.69 -157.57 10.08 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.651 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.3 t -135.73 139.0 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 111.006 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.2 t -72.47 106.0 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.045 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.75 -58.23 2.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -154.33 113.43 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.717 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.455 HD13 HG21 ' A' ' 61' ' ' VAL . 2.1 pt? -58.17 151.62 18.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -110.8 -23.12 11.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.81 143.45 38.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.195 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -96.74 146.96 24.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.756 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.459 HG21 HD13 ' A' ' 57' ' ' LEU . 44.1 t -63.68 127.64 24.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.062 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.77 -5.09 30.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -106.86 119.08 38.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.755 0.312 . . . . 0.0 110.763 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 24.7 pttm -52.31 153.92 2.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.07 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.2 p -109.81 163.07 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.095 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -144.27 139.01 28.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.707 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 28.6 m -57.87 127.3 31.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.84 -14.94 29.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.585 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.4 m -96.81 165.28 12.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.43 ' N ' HD12 ' B' ' 70' ' ' LEU . 7.6 mp -91.52 153.02 20.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.492 HG13 ' N ' ' B' ' 72' ' ' MET . 16.6 pt -121.48 -51.4 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.309 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.492 ' N ' HG13 ' B' ' 71' ' ' ILE . 73.5 mtm -151.17 163.27 39.22 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.008 0.432 . . . . 0.0 111.156 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 49.8 mt -135.7 133.79 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.182 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -113.36 160.23 18.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.823 0.344 . . . . 0.0 111.241 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.618 ' HG3' ' HB3' ' A' ' 43' ' ' SER . 25.7 tt0 -134.16 92.52 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.001 178.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.5 HG22 ' HB1' ' A' ' 42' ' ' ALA . 1.7 m -80.56 159.2 4.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -128.67 7.44 5.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.812 0.339 . . . . 0.0 110.986 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.12 40.46 97.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.568 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.7 117.95 12.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.94 144.69 55.63 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.06 -66.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.497 2.132 . . . . 0.0 112.319 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . 57.5 -174.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.318 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.03 120.39 28.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . 57.32 87.11 0.15 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.073 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.72 172.77 11.99 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.478 2.119 . . . . 0.0 112.293 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -146.06 134.92 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.297 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -94.46 5.95 50.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -93.53 -36.27 12.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.766 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.777 179.893 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.84 0.353 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.2 t -83.7 138.85 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.987 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -144.6 9.05 1.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.893 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -92.26 15.38 13.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.5 t -97.58 119.47 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -159.49 1.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.039 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 m -118.93 153.57 52.72 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.5 133.42 51.83 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.597 2.198 . . . . 0.0 112.234 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -119.03 96.34 5.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.562 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -81.56 152.27 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.105 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.1 m -95.27 20.04 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 64.64 121.57 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.186 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.16 132.3 33.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.5 p -134.56 -9.68 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 57.76 89.9 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.964 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.4 m -85.64 -12.29 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 58.0 ttp -133.61 107.19 7.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.5 m -112.37 149.17 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.221 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -83.91 -70.87 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t 64.62 146.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.282 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 175.21 -105.86 0.21 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.609 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.598 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 5.7 m-20 -129.85 138.54 51.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.695 0.283 . . . . 0.0 111.012 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -104.3 98.57 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 28' ' ' VAL . 3.4 t 57.56 22.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.598 ' HB3' ' HB3' ' A' ' 26' ' ' ASP . . . -98.42 165.47 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.262 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 61.71 10.18 3.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.377 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -137.9 100.49 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.793 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -167.27 31.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.474 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.4 p 50.68 90.77 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.259 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 34' ' ' LEU . 6.9 mp -96.26 17.35 16.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.127 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.9 pt -60.93 140.58 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.064 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.1 p -135.87 146.98 48.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.332 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.535 HG12 ' HG2' ' A' ' 38' ' ' GLU . 53.0 t -99.41 -74.44 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.834 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.535 ' HG2' HG12 ' A' ' 37' ' ' VAL . 36.7 mm-40 -136.0 -62.5 0.68 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.783 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.99 -83.48 0.72 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.556 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.11 153.11 43.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.727 0.298 . . . . 0.0 111.068 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt 64.32 112.95 0.03 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.204 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -126.9 -22.02 3.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.054 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.493 ' HB3' ' HA ' ' B' ' 75' ' ' GLU . 83.1 p -57.66 146.7 29.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.969 179.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.7 ttm -156.12 128.08 7.44 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.953 0.406 . . . . 0.0 111.321 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -77.65 120.58 22.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.682 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.423 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 34.7 m -87.73 138.9 31.27 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.051 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.495 ' HA ' ' HA ' ' B' ' 70' ' ' LEU . 69.5 Cg_endo -101.87 173.64 0.25 Allowed 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.257 2.638 . . . . 0.0 112.443 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.64 129.04 56.43 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -62.58 -39.94 41.24 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.427 2.085 . . . . 0.0 112.46 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -146.62 148.53 32.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.026 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.37 163.15 8.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.22 -159.8 30.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.308 -0.948 . . . . 0.0 113.017 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.9 t -128.19 127.38 67.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.66 0.267 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.8 t -74.14 110.59 8.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -96.32 -53.71 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -160.55 131.44 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.005 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 59' ' ' VAL . 4.2 pp -74.83 -179.93 4.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.878 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -125.64 -20.58 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.811 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.416 ' O ' HD13 ' A' ' 57' ' ' LEU . 30.2 m -126.86 140.01 50.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.181 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.556 ' N ' HD22 ' A' ' 60' ' ' ASN . 0.8 OUTLIER -90.99 150.84 21.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.6 t -59.03 121.85 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.23 -16.81 19.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.371 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -91.36 118.51 30.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -52.8 159.47 1.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 66' ' ' LYS . 9.9 p -118.27 159.3 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' N ' HG22 ' A' ' 65' ' ' VAL . 98.0 mttt -139.66 136.79 34.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.5 m -55.11 125.48 20.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.035 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.13 -15.41 20.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.285 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 65.2 m -97.02 169.22 9.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 110.677 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.505 ' HA ' ' HA ' ' B' ' 47' ' ' PRO . 3.4 mm? -95.94 158.67 15.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.7 pt -130.07 -29.27 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.351 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 54.0 tpp -159.7 153.63 23.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.1 mp -131.44 129.34 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.615 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -109.75 148.48 31.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 111.853 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.415 ' HA ' ' HB3' ' B' ' 43' ' ' SER . 43.8 tt0 -121.17 92.64 3.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.916 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.9 m -101.19 157.33 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.373 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -124.67 90.97 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.188 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.05 -25.0 65.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.429 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.49 152.48 30.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.048 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.428 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . . . -81.98 125.85 76.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 33.7 Cg_exo -59.92 166.62 8.34 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.377 2.051 . . . . 0.0 112.176 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.59 136.44 53.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.54 -68.79 0.33 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -165.91 99.6 0.74 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.194 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.77 127.02 11.88 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.368 2.045 . . . . 0.0 112.23 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.32 -13.55 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.45 ' NZ ' ' HB2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -75.55 151.39 37.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.795 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -134.38 -34.31 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.722 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.893 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -153.69 -31.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -88.49 108.23 19.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -147.19 -36.42 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -87.06 177.02 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.08 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -61.05 148.27 40.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.23 131.51 94.79 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.83 136.64 33.34 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.266 1.978 . . . . 0.0 112.431 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -104.69 5.92 33.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.738 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 18.6 tt -73.97 -18.64 17.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -81.06 136.29 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -107.96 -179.39 3.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.795 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 23.8 m -71.32 -27.91 30.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.093 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.521 HG22 ' HG2' ' B' ' 19' ' ' GLU . 28.3 m -143.75 -77.36 0.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.521 ' HG2' HG22 ' B' ' 18' ' ' THR . 12.7 pt-20 -171.5 -38.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.977 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 30.0 m -135.62 149.01 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.181 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 50.5 ttm -108.84 -45.45 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.787 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.8 t -134.18 115.75 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -66.41 159.93 25.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.802 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -118.36 128.31 75.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.11 96.2 2.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.619 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -87.19 105.18 17.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 110.774 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -79.02 138.37 37.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 32.9 m -90.24 -25.24 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.359 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.07 -172.93 0.09 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.304 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.05 -169.52 0.1 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -164.52 110.81 1.02 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.99 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -115.86 89.65 3.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.786 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 33.6 t -171.73 19.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.99 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.42 115.07 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.014 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 75.3 mt -109.16 105.51 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.051 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -147.66 -9.58 0.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.62 -44.89 98.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.16 -11.87 59.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.35 100.02 0.85 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.405 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -124.92 152.86 43.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.389 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -161.64 19.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.843 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.83 -33.58 70.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.415 ' HB3' ' HA ' ' A' ' 75' ' ' GLU . 80.6 p -58.89 145.19 42.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.481 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 52.1 ttm -153.8 131.5 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.003 0.43 . . . . 0.0 111.254 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -81.0 121.62 26.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.649 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.451 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.5 m -87.89 138.5 31.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.318 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.505 ' HA ' ' HA ' ' A' ' 70' ' ' LEU . 63.5 Cg_endo -101.79 175.42 0.23 Allowed 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 123.301 2.667 . . . . 0.0 112.385 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.88 128.22 56.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.044 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -62.79 -38.68 47.26 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.392 2.061 . . . . 0.0 112.492 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -148.26 150.11 33.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.017 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.74 160.53 27.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.972 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.2 -152.34 14.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.95 132.68 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.9 t -78.52 110.61 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.999 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -96.33 -56.04 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -158.24 133.35 8.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.424 HD13 ' O ' ' B' ' 59' ' ' VAL . 4.3 pp -76.7 179.16 6.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.8 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -124.21 -21.86 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.968 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.424 ' O ' HD13 ' B' ' 57' ' ' LEU . 29.5 m -125.85 139.77 50.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.894 0.378 . . . . 0.0 111.404 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.543 HD22 ' N ' ' B' ' 60' ' ' ASN . 0.9 OUTLIER -90.27 151.02 21.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.769 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 51.5 t -59.33 122.05 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 114.88 -19.92 15.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.421 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -88.32 122.34 31.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.778 0.323 . . . . 0.0 110.742 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -56.74 159.95 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.021 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.409 HG22 ' N ' ' B' ' 66' ' ' LYS . 7.0 p -117.23 161.75 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.409 ' N ' HG22 ' B' ' 65' ' ' VAL . 98.4 mttt -143.21 138.26 29.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 22.3 m -55.93 125.9 23.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.89 -16.82 20.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.321 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 49.3 m -96.01 168.56 10.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 110.844 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.495 ' HA ' ' HA ' ' A' ' 47' ' ' PRO . 3.4 mm? -95.8 159.24 15.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 40.3 pt -131.17 -27.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.366 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 54.2 tpp -163.25 151.73 14.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.025 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.446 ' N ' HD12 ' B' ' 73' ' ' ILE . 3.9 mp -128.41 136.1 60.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.204 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -117.67 142.86 46.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.832 0.348 . . . . 0.0 111.415 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.493 ' HA ' ' HB3' ' A' ' 43' ' ' SER . 41.4 tt0 -115.46 94.55 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.875 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 m -101.98 158.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.811 -178.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -134.6 6.16 3.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.762 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.55 -107.43 2.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.344 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.5 124.74 13.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 111.029 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' B' ' 81' ' ' PRO . . . -75.59 136.48 71.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 80' ' ' ALA . 22.5 Cg_exo -64.95 -4.88 9.64 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.502 2.135 . . . . 0.0 112.294 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.25 -66.69 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.271 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.03 159.68 30.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' B' ' 85' ' ' PRO . . . -150.52 149.99 27.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 84' ' ' ALA . 19.6 Cg_exo -66.01 169.27 13.74 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.567 2.178 . . . . 0.0 112.257 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -129.09 -23.05 3.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.902 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.533 ' HG2' ' HG2' ' B' ' 88' ' ' GLN . 63.4 tttm -148.58 141.02 24.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.644 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . 0.533 ' HG2' ' HG2' ' B' ' 87' ' ' LYS . 31.0 mm-40 61.62 13.65 5.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.983 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.823 -179.859 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.3 mmm . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.762 0.315 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.9 t -80.55 137.7 21.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -88.06 110.64 20.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 58.7 -174.59 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.438 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.2 t -107.8 144.09 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.736 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -153.9 13.69 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.123 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 m -64.17 151.88 89.38 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.67 151.01 83.18 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.414 2.076 . . . . 0.0 112.23 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 57.55 -168.92 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.7 pt -124.36 138.4 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.265 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.8 p -158.73 137.45 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -155.52 -1.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.4 t 61.45 102.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.437 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.7 p -100.98 178.9 4.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.976 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -90.15 132.56 35.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.989 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.9 -11.42 12.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 94.4 mmm -87.71 115.96 25.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.0 m -108.57 169.17 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.02 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -84.74 -57.47 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.63 151.45 33.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.074 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.22 131.57 7.25 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -82.76 152.71 25.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 111.078 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' NZ ' ' HB3' ' A' ' 27' ' ' LYS . 3.8 mmmp? -87.36 109.67 19.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 m -83.05 143.49 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.218 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 59.91 98.69 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.267 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.91 -56.77 2.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.976 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -100.64 103.46 14.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.044 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -138.4 -23.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.397 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.5 p -141.27 -46.65 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.827 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mp -96.22 173.99 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.7 mt -127.45 107.27 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.5 m 59.25 99.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.267 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.22 137.04 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.03 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -157.68 -56.43 0.08 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.773 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.89 64.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.616 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -73.59 138.69 45.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.795 0.331 . . . . 0.0 110.73 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.31 169.82 8.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.093 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' B' ' 76' ' ' VAL . . . -154.59 141.18 18.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.517 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.3 m -143.3 146.78 33.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 49.3 tpp -132.47 119.4 20.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.847 0.356 . . . . 0.0 111.099 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.451 ' HG2' HG12 ' B' ' 73' ' ' ILE . 24.3 mt-10 -75.59 151.49 37.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.545 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.7 m -121.05 142.47 34.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.187 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 46' ' ' VAL . 81.5 Cg_endo -101.68 145.26 0.26 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.232 2.622 . . . . 0.0 112.248 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.79 138.63 97.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.273 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.57 -39.8 8.65 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.435 2.09 . . . . 0.0 112.412 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -147.65 153.66 39.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.503 ' HA ' HG13 ' B' ' 65' ' ' VAL . . . -67.99 156.84 36.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.69 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 74' ' ' PHE . . . 168.69 171.47 34.53 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 120.132 -1.032 . . . . 0.0 113.41 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.0 t -97.87 132.07 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.988 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.3 t -74.33 127.9 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HD2' ' HB2' ' A' ' 75' ' ' GLU . 57.6 mtpt -103.72 -45.0 4.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.745 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.581 ' HG2' ' H ' ' A' ' 58' ' ' LYS . 34.9 tt0 -144.44 140.19 28.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 58' ' ' LYS . 2.8 pp -61.89 -33.57 74.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.038 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.582 ' HE3' ' HB2' ' A' ' 70' ' ' LEU . 10.0 tmtt? 74.26 -41.89 0.49 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.686 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.408 ' O ' HD13 ' A' ' 57' ' ' LEU . 35.6 m -132.84 149.01 31.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.827 0.346 . . . . 0.0 111.463 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -87.82 151.34 22.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.535 HG21 HD23 ' B' ' 57' ' ' LEU . 21.3 t -56.48 125.02 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.64 19.4 32.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -104.23 111.42 24.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -48.01 158.5 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.359 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.448 HG13 ' HA ' ' B' ' 51' ' ' ALA . 6.7 p -130.35 160.43 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.999 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -143.29 159.27 42.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.842 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.5 p -61.33 116.81 4.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.25 -1.58 35.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.552 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.2 t -98.33 130.96 44.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.737 0.303 . . . . 0.0 110.808 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.582 ' HB2' ' HE3' ' A' ' 58' ' ' LYS . 3.3 mm? -69.56 159.27 33.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.635 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 72' ' ' MET . 27.2 pt -134.12 -41.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.749 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.431 ' N ' HG13 ' A' ' 71' ' ' ILE . 62.9 mtt -145.09 158.43 43.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.032 0.444 . . . . 0.0 111.294 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.457 HG12 ' HG2' ' B' ' 45' ' ' GLU . 24.6 mt -132.57 122.43 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.163 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.463 ' HB3' ' HA3' ' A' ' 52' ' ' GLY . 82.1 m-85 -109.76 139.31 44.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.95 0.405 . . . . 0.0 111.802 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HB2' ' HD2' ' A' ' 55' ' ' LYS . 42.5 tt0 -84.33 92.71 8.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.602 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 p -110.11 117.84 55.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.349 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.519 ' HA ' ' HB3' ' B' ' 42' ' ' ALA . 42.9 tt0 -71.6 100.55 2.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.637 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.17 -147.03 31.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.513 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.67 121.14 11.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.708 0.289 . . . . 0.0 111.086 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . . . -84.53 144.79 43.54 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 32.3 Cg_exo -58.09 128.98 30.86 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.431 2.087 . . . . 0.0 112.057 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -91.17 126.28 36.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.29 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -144.3 113.35 6.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -155.32 82.02 3.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.199 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.6 -3.07 13.36 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.473 2.116 . . . . 0.0 112.425 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.86 -173.46 2.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -126.86 -29.61 2.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -109.09 -1.75 18.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.802 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.0 t -132.47 -57.54 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.013 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -85.86 154.08 21.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.729 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -155.71 150.09 25.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.758 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -77.76 -58.96 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.097 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -60.52 153.91 22.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.45 153.07 72.38 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.188 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -67.89 136.47 38.5 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.547 2.165 . . . . 0.0 112.462 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.8 t70 63.59 164.05 0.12 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.071 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 72.6 mt -104.56 -53.5 7.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.037 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 46.0 t -89.99 100.43 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -114.82 170.73 8.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 p -97.79 143.27 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.086 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 59.5 m -111.28 115.79 29.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 59.56 99.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.95 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -63.77 157.5 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . 0.447 ' HG3' HG22 ' B' ' 22' ' ' VAL . 23.3 ptt? -102.71 -38.43 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.04 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.447 HG22 ' HG3' ' B' ' 21' ' ' MET . 26.0 m -138.91 141.22 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.393 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -170.72 -43.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.759 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 48.6 t -128.4 127.33 67.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.33 -153.76 6.82 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -97.7 -177.62 3.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.554 0.216 . . . . 0.0 110.777 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 63.13 -82.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.256 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 42.6 t 61.64 106.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.123 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.4 -49.58 10.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.176 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.14 -169.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.03 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -132.02 112.41 12.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.109 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 57.31 -90.72 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.272 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 53.0 m 61.08 -83.22 0.02 OUTLIER 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.11 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 75.5 mt -124.3 -164.67 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.559 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.554 ' HB ' HG22 ' B' ' 37' ' ' VAL . 14.0 pt -56.84 -25.95 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.044 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 2.7 m 60.1 10.7 2.37 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.552 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.554 HG22 ' HB ' ' B' ' 35' ' ' ILE . 35.6 m -130.38 176.16 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.359 . . . . 0.0 111.076 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -137.53 -52.95 0.66 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.17 159.42 51.73 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -77.09 143.69 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -161.01 83.68 0.66 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 77' ' ' GLU . . . -175.43 121.6 0.2 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.803 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 46.8 m -137.86 145.28 42.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.701 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 47.1 tpp -128.64 119.88 25.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.083 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.457 ' HG2' HG12 ' A' ' 73' ' ' ILE . 31.2 mt-10 -75.25 151.8 38.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.595 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' B' ' 47' ' ' PRO . 33.7 m -122.18 141.77 35.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.249 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 46' ' ' VAL . 79.2 Cg_endo -101.16 147.74 0.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.082 2.521 . . . . 0.0 112.6 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.49 138.55 97.48 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.34 -38.18 9.1 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.373 2.049 . . . . 0.0 112.556 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -149.37 155.0 39.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.969 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.448 ' HA ' HG13 ' A' ' 65' ' ' VAL . . . -73.05 151.66 41.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.993 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.456 ' HA3' ' HB3' ' B' ' 74' ' ' PHE . . . 172.84 176.08 41.19 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.51 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.4 t -98.19 135.69 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.277 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.2 t -76.77 127.69 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.493 ' HD2' ' HB2' ' B' ' 75' ' ' GLU . 57.3 mtpt -104.8 -44.83 4.74 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.598 ' HG2' ' H ' ' B' ' 58' ' ' LYS . 34.3 tt0 -144.59 141.41 29.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.057 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.535 HD23 HG21 ' A' ' 61' ' ' VAL . 2.3 pp -63.08 -33.33 75.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.598 ' H ' ' HG2' ' B' ' 56' ' ' GLU . 9.8 tmtt? 74.02 -41.6 0.49 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.471 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.1 m -132.68 149.28 31.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 111.5 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -88.14 151.59 22.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.537 HG21 HD23 ' A' ' 57' ' ' LEU . 21.1 t -57.61 124.3 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.221 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.95 16.15 36.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -101.36 117.16 34.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.7 0.286 . . . . 0.0 110.729 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -53.07 160.96 0.9 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.503 HG13 ' HA ' ' A' ' 51' ' ' ALA . 4.4 p -131.68 159.76 42.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.99 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -144.66 159.59 42.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.087 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 74.5 p -61.09 117.68 5.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.191 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.28 -2.14 37.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.559 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 41.3 t -98.39 130.47 45.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.827 0.346 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.583 ' HB2' ' HE3' ' B' ' 58' ' ' LYS . 3.3 mm? -69.27 159.37 33.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.586 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.4 HG13 ' N ' ' B' ' 72' ' ' MET . 29.1 pt -134.52 -39.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.667 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.4 ' N ' HG13 ' B' ' 71' ' ' ILE . 63.0 mtt -147.07 158.19 43.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.015 0.436 . . . . 0.0 111.499 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.451 HG12 ' HG2' ' A' ' 45' ' ' GLU . 17.1 mt -132.01 124.91 53.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.843 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.456 ' HB3' ' HA3' ' B' ' 52' ' ' GLY . 66.2 m-85 -112.55 136.34 52.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 111.489 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.493 ' HB2' ' HD2' ' B' ' 55' ' ' LYS . 40.3 tt0 -80.95 92.13 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.879 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.5 p -107.85 120.32 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.243 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -73.94 111.71 9.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -177.33 -110.52 0.27 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.555 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.5 122.64 26.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.98 144.58 98.86 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -62.83 118.36 5.26 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.476 2.118 . . . . 0.0 112.357 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.06 -7.66 55.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.03 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.45 123.7 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.191 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.85 153.03 38.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.147 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.01 -14.73 35.66 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.596 2.197 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.13 115.31 14.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.073 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.559 ' HG2' HE21 ' B' ' 88' ' ' GLN . 41.7 ttmt -119.87 -56.85 2.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.75 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . 0.559 HE21 ' HG2' ' B' ' 87' ' ' LYS . 30.9 mm-40 -95.72 150.61 20.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.423 -0.799 . . . . 0.0 111.042 -179.856 . . . . . . . . 0 0 . 1 stop_ save_